ethyl 4-[[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(4-ethyl-5-methyl-thiophene-3-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(4-ethyl-5-methyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-ethyl-5-methylthiophene-3-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(4-ethyl-5-methyl-thiophene-3-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(SC=C1C(=O)NNC(=S)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C18H21N3O3S2/c1-4-14-11(3)26-10-15(14)16(22)20-21-18(25)19-13-8-6-12(7-9-13)17(23)24-5-2/h6-10H,4-5H2,1-3H3,(H,20,22)(H2,19,21,25)