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

Systemtic Name: methyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17ClN2O3S2 MolecularWeight: 432.94358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H17ClN2O3S2/c1-25-16-9-8-13(10-15(16)21)22-20(27)23-18-14(19(24)26-2)11-17(28-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,22,23,27)