2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]-N-(o-tolyl)acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

InChI

InChI=1S/C27H31N3O4S/c1-18-9-7-8-12-21(18)28-25(31)17-35-27-29-22-16-24(34-3)23(33-2)15-20(22)26(32)30(27)14-13-19-10-5-4-6-11-19/h7-10,12,15-16H,4-6,11,13-14,17H2,1-3H3,(H,28,31)