ethyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S2/c1-4-28-21(25)16-13-19(14-8-6-5-7-9-14)30-20(16)24-22(29)23-15-10-11-17(26-2)18(12-15)27-3/h5-13H,4H2,1-3H3,(H2,23,24,29)