N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]ethanamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]ethanamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-2-cyano-phenyl]acetamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-2-cyanophenyl]acetamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-cyanophenyl]acetamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-2-cyano-phenyl]acetamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C#N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C#N

InChI

InChI=1S/C18H17ClN4O3S/c1-10(24)21-14-5-4-12(6-11(14)9-20)22-18(27)23-15-7-13(19)16(25-2)8-17(15)26-3/h4-8H,1-3H3,(H,21,24)(H2,22,23,27)