ethyl 2-[(4-chlorophenyl)carbonylcarbamothioylamino]-5-ethyl-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbonylcarbamothioylamino]-5-ethyl-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-5-ethyl-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-ethyl-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-5-ethyl-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-chlorobenzoyl)thiocarbamoylamino]-5-ethyl-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H19ClN2O3S3 MolecularWeight: 479.03516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C21H19ClN2O3S3/c1-3-14-16(15-6-5-11-29-15)17(20(26)27-4-2)19(30-14)24-21(28)23-18(25)12-7-9-13(22)10-8-12/h5-11H,3-4H2,1-2H3,(H2,23,24,25,28)