2-[3-[3-(4-methoxyphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylpropylsulfanyl]-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-[3-[3-(4-methoxyphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylpropylsulfanyl]-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[3-[3-(4-methoxyphenyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylpropylsulfanyl]-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[3-[[3-(4-methoxyphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]propylthio]-3-(4-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[3-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylpropylsulfanyl]-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[3-[[4-keto-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]propylthio]-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C51H52N4O3S2 MolecularWeight: 833.11358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCCSC6=NC7=C(C(=O)N6C8=CC=C(C=C8)OC)C9(CCCCC9)CC1=CC=CC=C17

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCCSC6=NC7=C(C(=O)N6C8=CC=C(C=C8)OC)C9(CCCCC9)CC1=CC=CC=C17

InChI

InChI=1S/C51H52N4O3S2/c1-34-18-20-37(21-19-34)54-46(56)42-44(40-16-7-5-14-35(40)32-50(42)26-9-3-10-27-50)52-48(54)59-30-13-31-60-49-53-45-41-17-8-6-15-36(41)33-51(28-11-4-12-29-51)43(45)47(57)55(49)38-22-24-39(58-2)25-23-38/h5-8,14-25H,3-4,9-13,26-33H2,1-2H3