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

Systemtic Name: 3-(3,5-dimethylphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-4-oxo-2-(phenylmethylthio)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3,5-dimethylphenyl)-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-17(2)28-25(31)21-10-11-23-24(15-21)29-27(33-16-20-8-6-5-7-9-20)30(26(23)32)22-13-18(3)12-19(4)14-22/h5-15,17H,16H2,1-4H3,(H,28,31)