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

Systemtic Name: 3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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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=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2S/c1-18(2)16-29-26(32)22-10-11-24-25(15-22)30-28(34-17-21-8-6-5-7-9-21)31(27(24)33)23-13-19(3)12-20(4)14-23/h5-15,18H,16-17H2,1-4H3,(H,29,32)