methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC)Cl

InChI

InChI=1S/C21H19ClN2O4S2/c1-26-16-11-15(17(27-2)10-14(16)22)23-21(29)24-19-13(20(25)28-3)9-18(30-19)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,23,24,29)