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

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OC)Cl

InChI

InChI=1S/C22H21ClN2O4S2/c1-27-18-12-17(19(28-2)11-16(18)23)24-22(30)25-20-15(21(26)29-3)10-14(31-20)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H2,24,25,30)