methyl 3-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S2/c1-22-16(21)15-14(7-12-24-15)18-17(23)20-10-8-19(9-11-20)13-5-3-2-4-6-13/h2-7,12H,8-11H2,1H3,(H,18,23)