methyl 4-[2-(4-methylpiperazin-1-yl)carbothioylsulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-methylpiperazin-1-yl)carbothioylsulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methylpiperazine-1-carbothioyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=S)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H21N3O3S2/c1-18-7-9-19(10-8-18)16(23)24-11-14(20)17-13-5-3-12(4-6-13)15(21)22-2/h3-6H,7-11H2,1-2H3,(H,17,20)