N-(2-chloranyl-5-nitro-phenyl)-4-(phenylmethyl)piperidine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(2-chloro-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(2-chloro-5-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(2-chloro-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O2S/c20-17-7-6-16(23(24)25)13-18(17)21-19(26)22-10-8-15(9-11-22)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,21,26)