N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-3-cyano-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-3-cyano-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-3-cyano-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-cyanophenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-3-cyanophenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-3-cyano-phenyl]thiophene-2-carboxamide Formula: C21H17ClN4O3S2 MolecularWeight: 472.96768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C#N)Cl)OC

InChI

InChI=1S/C21H17ClN4O3S2/c1-28-17-10-18(29-2)16(9-14(17)22)26-21(30)25-15-6-5-13(8-12(15)11-23)24-20(27)19-4-3-7-31-19/h3-10H,1-2H3,(H,24,27)(H2,25,26,30)