methyl 2-[[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-ethyl-5-methyl-thiophene-3-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-ethyl-5-methyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-ethyl-5-methylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(4-ethyl-5-methyl-thiophene-3-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S3 MolecularWeight: 459.60474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C(=O)NNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCC1=C(SC=C1C(=O)NNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H21N3O3S3/c1-4-14-12(2)29-11-16(14)18(25)23-24-21(28)22-19-15(20(26)27-3)10-17(30-19)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,23,25)(H2,22,24,28)