N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

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

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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=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-20(2)18-29-26(32)23-13-14-24-25(17-23)30-28(34-19-22-11-7-4-8-12-22)31(27(24)33)16-15-21-9-5-3-6-10-21/h3-14,17,20H,15-16,18-19H2,1-2H3,(H,29,32)