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

Systemtic Name: ethyl 4-[2-(4-methylpiperazin-1-yl)carbothioylsulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methylpiperazine-1-carbothioyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCN(CC2)C

InChI

InChI=1S/C17H23N3O3S2/c1-3-23-16(22)13-4-6-14(7-5-13)18-15(21)12-25-17(24)20-10-8-19(2)9-11-20/h4-7H,3,8-12H2,1-2H3,(H,18,21)