2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(3,5-dimethoxyphenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C28H28ClN3O4S MolecularWeight: 538.05762

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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=C3Cl)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=C3Cl)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H28ClN3O4S/c1-17(2)15-30-26(33)18-9-10-23-25(11-18)31-28(37-16-19-7-5-6-8-24(19)29)32(27(23)34)20-12-21(35-3)14-22(13-20)36-4/h5-14,17H,15-16H2,1-4H3,(H,30,33)