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

Systemtic Name: ethyl 2-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H25N5O5S2 MolecularWeight: 527.6158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C24H25N5O5S2/c1-3-34-22(31)15-4-6-18-20(12-15)36-24(25-18)27-23(35)26-21(30)17-13-16(29(32)33)5-7-19(17)28-10-8-14(2)9-11-28/h4-7,12-14H,3,8-11H2,1-2H3,(H2,25,26,27,30,35)