(3R)-3-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)piperidine-1-carbothioamide

Systemtic Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)piperidine-1-carbothioamide Openeye Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(o-tolyl)piperidine-1-carbothioamide CAS Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(o-tolyl)piperidine-1-carbothioamide Formula: C20H21N3S2 MolecularWeight: 367.53084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3S2/c1-14-7-2-3-9-16(14)22-20(24)23-12-6-8-15(13-23)19-21-17-10-4-5-11-18(17)25-19/h2-5,7,9-11,15H,6,8,12-13H2,1H3,(H,22,24)/t15-/m1/s1