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

Systemtic Name: methyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[(4-methylpiperazin-1-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazino)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H22N4O2S2/c1-21-8-10-22(11-9-21)20-18(25)19-16-14(17(23)24-2)12-15(26-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,19,20,25)