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

Systemtic Name: ethyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H19ClN2O3S2/c1-3-27-20(25)15-12-18(13-7-5-4-6-8-13)29-19(15)24-21(28)23-14-9-10-17(26-2)16(22)11-14/h4-12H,3H2,1-2H3,(H2,23,24,28)