butyl 2-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-methylpiperidino)-5-nitro-benzoyl]thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C26H29N5O5S2 MolecularWeight: 555.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C26H29N5O5S2/c1-3-4-13-36-24(33)17-5-7-20-22(14-17)38-26(27-20)29-25(37)28-23(32)19-15-18(31(34)35)6-8-21(19)30-11-9-16(2)10-12-30/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,27,28,29,32,37)