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

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-pyrrolidine-1-carbothioamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-3-(p-tolylsulfonyl)pyrrolidine-1-carbothioamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-1-pyrrolidinecarbothioamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonylpyrrolidine-1-carbothioamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-3-tosyl-pyrrolidine-1-carbothioamide hydrochloride Formula: C16H26ClN3O2S2 MolecularWeight: 391.97954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCN(C2)C(=S)NCCN(C)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCN(C2)C(=S)NCCN(C)C.Cl

InChI

InChI=1S/C16H25N3O2S2.ClH/c1-13-4-6-14(7-5-13)23(20,21)15-8-10-19(12-15)16(22)17-9-11-18(2)3;/h4-7,15H,8-12H2,1-3H3,(H,17,22);1H