methyl 2-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c1-31-22(28)17-7-2-4-8-18(17)25-23(32)26-12-10-15(11-13-26)21-24-19(14-33-21)16-6-3-5-9-20(16)27(29)30/h2-9,14-15H,10-13H2,1H3,(H,25,32)