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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC=CC=C4Cl)C

InChI

InChI=1S/C28H28ClN3O2S/c1-17(2)15-30-26(33)20-9-10-23-25(14-20)31-28(35-16-21-7-5-6-8-24(21)29)32(27(23)34)22-12-18(3)11-19(4)13-22/h5-14,17H,15-16H2,1-4H3,(H,30,33)