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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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