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

Systemtic Name: ethyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23ClN2O4S2 MolecularWeight: 491.02272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C23H23ClN2O4S2/c1-4-30-22(27)16-11-15(10-14-8-6-5-7-9-14)32-21(16)26-23(31)25-18-13-19(28-2)17(24)12-20(18)29-3/h5-9,11-13H,4,10H2,1-3H3,(H2,25,26,31)