N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H18N4O3S/c1-27-17-10-5-4-9-16(17)24(12-6-11-21)18(25)13-28-20-22-15-8-3-2-7-14(15)19(26)23-20/h2-5,7-10H,6,12-13H2,1H3,(H,22,23,26)