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

Systemtic Name: N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]-N-(2,4-dimethylphenyl)acetamide Formula: C34H35N3O2S MolecularWeight: 549.7256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63)C

InChI

InChI=1S/C34H35N3O2S/c1-23-15-16-28(24(2)19-23)35-29(38)22-40-33-36-31-27-14-8-7-13-26(27)20-34(17-9-4-10-18-34)30(31)32(39)37(33)21-25-11-5-3-6-12-25/h3,5-8,11-16,19H,4,9-10,17-18,20-22H2,1-2H3,(H,35,38)