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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CCC4=CCCCC4)OC)OC

InChI

InChI=1S/C27H31N3O4S/c1-29(20-12-8-5-9-13-20)25(31)18-35-27-28-22-17-24(34-3)23(33-2)16-21(22)26(32)30(27)15-14-19-10-6-4-7-11-19/h5,8-10,12-13,16-17H,4,6-7,11,14-15,18H2,1-3H3