(3S)-3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide Openeye Name: (3S)-3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide CAS Name: (3S)-3-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: (3S)-3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide Traditional Name: (3S)-3-methyl-N-(4-pyrrolidinosulfonylphenyl)piperidine-1-carbothioamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H25N3O2S2/c1-14-5-4-10-19(13-14)17(23)18-15-6-8-16(9-7-15)24(21,22)20-11-2-3-12-20/h6-9,14H,2-5,10-13H2,1H3,(H,18,23)/t14-/m0/s1