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

Systemtic Name: propan-2-yl 2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C25H27N5O5S2 MolecularWeight: 541.64238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5S2/c1-14(2)35-23(32)17-4-6-18-21(13-17)37-25(26-18)28-24(36)27-22(31)16-5-7-19(20(12-16)30(33)34)29-10-8-15(3)9-11-29/h4-7,12-15H,8-11H2,1-3H3,(H2,26,27,28,31,36)