N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C25H29N5O3S2 MolecularWeight: 511.65946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCCCC1=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/C25H29N5O3S2/c1-3-4-5-17-6-8-20-22(14-17)35-25(26-20)28-24(34)27-23(31)19-15-18(30(32)33)7-9-21(19)29-12-10-16(2)11-13-29/h6-9,14-16H,3-5,10-13H2,1-2H3,(H2,26,27,28,31,34)