N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-14-9-11-23(12-10-14)31(28,29)18-7-5-16(6-8-18)21-20(30)22-19(25)15-3-2-4-17(13-15)24(26)27/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25,30)