N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-5-nitro-2-piperidino-benzamide Formula: C24H29ClN6O3S MolecularWeight: 517.04346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C24H29ClN6O3S/c1-28-12-14-30(15-13-28)22-19(25)6-5-7-20(22)26-24(35)27-23(32)18-16-17(31(33)34)8-9-21(18)29-10-3-2-4-11-29/h5-9,16H,2-4,10-15H2,1H3,(H2,26,27,32,35)