N-(2-dimethylaminoethyl)-3-(phenylsulfonyl)piperidine-1-carbothioamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-3-(phenylsulfonyl)piperidine-1-carbothioamide hydrochloride Openeye Name: 3-(benzenesulfonyl)-N-(2-dimethylaminoethyl)piperidine-1-carbothioamide hydrochloride CAS Name: 3-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-1-piperidinecarbothioamide hydrochloride IUPAC Name: 3-(benzenesulfonyl)-N-(2-dimethylaminoethyl)piperidine-1-carbothioamide hydrochloride Traditional Name: 3-besyl-N-(2-dimethylaminoethyl)piperidine-1-carbothioamide hydrochloride Formula: C16H26ClN3O2S2 MolecularWeight: 391.97954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCCC(C1)S(=O)(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CN(C)CCNC(=S)N1CCCC(C1)S(=O)(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H25N3O2S2.ClH/c1-18(2)12-10-17-16(22)19-11-6-9-15(13-19)23(20,21)14-7-4-3-5-8-14;/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,17,22);1H