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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H25N4O2S2+ MolecularWeight: 453.6002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S2/c1-16-19(17-8-4-3-5-9-17)20(22(28)29-2)21(31-16)25-23(30)27-14-12-26(13-15-27)18-10-6-7-11-24-18/h3-11H,12-15H2,1-2H3,(H,25,30)/p+1