N-(2-diethylaminoethyl)-3-(phenylsulfonyl)piperidine-1-carbothioamide

Systemtic Name: N-(2-diethylaminoethyl)-3-(phenylsulfonyl)piperidine-1-carbothioamide Openeye Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)piperidine-1-carbothioamide CAS Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-1-piperidinecarbothioamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)piperidine-1-carbothioamide Traditional Name: 3-besyl-N-(2-diethylaminoethyl)piperidine-1-carbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)N1CCCC(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=S)N1CCCC(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H29N3O2S2/c1-3-20(4-2)14-12-19-18(24)21-13-8-11-17(15-21)25(22,23)16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,19,24)