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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O3S/c1-13-5-6-14(11-18(13)25(27)28)19(26)23-20(29)22-15-7-8-17(16(21)12-15)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H2,22,23,26,29)