ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazino)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H24N4O2S2 MolecularWeight: 404.54946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NN3CCN(CC3)C

InChI

InChI=1S/C19H24N4O2S2/c1-3-25-18(24)15-13-16(14-7-5-4-6-8-14)27-17(15)20-19(26)21-23-11-9-22(2)10-12-23/h4-8,13H,3,9-12H2,1-2H3,(H2,20,21,26)