N-(3-methoxyphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C33H33N3O3S MolecularWeight: 551.69842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C33H33N3O3S/c1-39-26-15-10-14-25(19-26)34-28(37)22-40-32-35-30-27-16-7-6-13-24(27)20-33(17-8-3-9-18-33)29(30)31(38)36(32)21-23-11-4-2-5-12-23/h2,4-7,10-16,19H,3,8-9,17-18,20-22H2,1H3,(H,34,37)