3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-isobutyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N-isobutyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27N3O3S/c1-18(2)16-28-25(31)20-9-14-23-24(15-20)29-27(34-17-19-7-5-4-6-8-19)30(26(23)32)21-10-12-22(33-3)13-11-21/h4-15,18H,16-17H2,1-3H3,(H,28,31)