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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C24H27N5O3S2 MolecularWeight: 497.63288

Click to see the large picture

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-])N4CCCCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C24H27N5O3S2/c1-2-3-7-16-8-10-19-21(14-16)34-24(25-19)27-23(33)26-22(30)18-15-17(29(31)32)9-11-20(18)28-12-5-4-6-13-28/h8-11,14-15H,2-7,12-13H2,1H3,(H2,25,26,27,30,33)