N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-piperidine-1-carbothioamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-piperidine-1-carbothioamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-3-(p-tolylsulfonyl)piperidine-1-carbothioamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-1-piperidinecarbothioamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonylpiperidine-1-carbothioamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-3-tosyl-piperidine-1-carbothioamide hydrochloride Formula: C17H28ClN3O2S2 MolecularWeight: 406.00612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCCN(C2)C(=S)NCCN(C)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCCN(C2)C(=S)NCCN(C)C.Cl

InChI

InChI=1S/C17H27N3O2S2.ClH/c1-14-6-8-15(9-7-14)24(21,22)16-5-4-11-20(13-16)17(23)18-10-12-19(2)3;/h6-9,16H,4-5,10-13H2,1-3H3,(H,18,23);1H