ethyl 2-[[(5-methylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5-methylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(5-methylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-methyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5-methylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(5-methylthiophene-3-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O3S3 MolecularWeight: 445.57816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3)C

InChI

InChI=1S/C20H19N3O3S3/c1-3-26-19(25)15-10-16(13-7-5-4-6-8-13)29-18(15)21-20(27)23-22-17(24)14-9-12(2)28-11-14/h4-11H,3H2,1-2H3,(H,22,24)(H2,21,23,27)