3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethoxyphenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3,5-dimethoxyphenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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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(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-18(2)16-29-26(32)20-10-11-24-25(12-20)30-28(36-17-19-8-6-5-7-9-19)31(27(24)33)21-13-22(34-3)15-23(14-21)35-4/h5-15,18H,16-17H2,1-4H3,(H,29,32)