2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenethyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C32H37N3O2S MolecularWeight: 527.72008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N5CCCCC5)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N5CCCCC5)CCC6=CC=CC=C6

InChI

InChI=1S/C32H37N3O2S/c36-27(34-19-10-3-11-20-34)23-38-31-33-29-26-15-7-6-14-25(26)22-32(17-8-2-9-18-32)28(29)30(37)35(31)21-16-24-12-4-1-5-13-24/h1,4-7,12-15H,2-3,8-11,16-23H2