N-(2-chloranyl-4-methyl-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-12-6-9-17(15(21)10-12)22-18(25)11-27-20-23-16-5-3-2-4-14(16)19(26)24(20)13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3,(H,22,25)