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

Systemtic Name: methyl 2-[(4-methylpiperazin-1-yl)carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-20-8-10-21(11-9-20)18(24)19-16-14(17(22)23-2)12-15(25-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,24)