N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H22N4O3S/c1-23(14-24,15-10-11-15)26-20(28)13-31-22-25-19-9-4-3-8-18(19)21(29)27(22)16-6-5-7-17(12-16)30-2/h3-9,12,15H,10-11,13H2,1-2H3,(H,26,28)