ethyl 5-ethyl-2-(phenylcarbonylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-(phenylcarbonylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-ethyl-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-5-ethyl-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O3S3 MolecularWeight: 444.5901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S3/c1-3-14-16(15-11-8-12-28-15)17(20(25)26-4-2)19(29-14)23-21(27)22-18(24)13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3,(H2,22,23,24,27)