ethyl 4,5-dimethyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-phenoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-4-26-21(25)19-14(2)15(3)29-20(19)24-22(28)23-16-10-12-18(13-11-16)27-17-8-6-5-7-9-17/h5-13H,4H2,1-3H3,(H2,23,24,28)