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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NN2CCN(CC2)C)C(=O)OC)C3=CC=CC=C3

InChI

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