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

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-isobutyl-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(2-methylpropyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-isobutyl-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-4-12-24-21(27)18-10-11-19-20(13-18)25-23(26(22(19)28)14-16(2)3)29-15-17-8-6-5-7-9-17/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,24,27)