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

Systemtic Name: N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-benzylsulfanyl-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-benzylsulfanyl-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(benzylthio)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-19(2)16-28-25(31)22-13-14-23-24(15-22)29-27(33-18-21-11-7-4-8-12-21)30(26(23)32)17-20-9-5-3-6-10-20/h3-15,19H,16-18H2,1-2H3,(H,28,31)