methyl 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O2S2/c1-26-18(25)14-6-8-15(9-7-14)21-19(27)23-10-12-24(13-11-23)20-22-16-4-2-3-5-17(16)28-20/h2-9H,10-13H2,1H3,(H,21,27)