2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(3-methoxyphenyl)-N-methyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-(cyanomethylthio)-4-keto-3-(3-methoxyphenyl)-N-methyl-quinazoline-7-carboxamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC(=CC=C4)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H22N4O3S/c1-29(17-18-7-4-3-5-8-18)24(31)19-11-12-22-23(15-19)28-26(34-14-13-27)30(25(22)32)20-9-6-10-21(16-20)33-2/h3-12,15-16H,14,17H2,1-2H3