methyl 3-[(4-methylpiperazin-1-yl)carbothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-methylpiperazin-1-yl)carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-methylpiperazine-1-carbothioyl)carbamoyl]benzoate CAS Name: 3-[[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylpiperazine-1-carbothioyl)carbamoyl]benzoate Traditional Name: 3-[(4-methylpiperazine-1-carbothioyl)carbamoyl]benzoic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C15H19N3O3S/c1-17-6-8-18(9-7-17)15(22)16-13(19)11-4-3-5-12(10-11)14(20)21-2/h3-5,10H,6-9H2,1-2H3,(H,16,19,22)