methyl 4-[[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-[2-(4-methyl-1-piperazinyl)ethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-methylpiperazino)ethyl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2CCCCN2C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CCC2CCCCN2C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H32N4O2S/c1-23-13-15-24(16-14-23)12-10-19-5-3-4-11-25(19)21(28)22-18-8-6-17(7-9-18)20(26)27-2/h6-9,19H,3-5,10-16H2,1-2H3,(H,22,28)