N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-besyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Formula: C18H28N4O2S2 MolecularWeight: 396.57052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H28N4O2S2/c1-2-20-10-6-7-16(20)15-19-18(25)21-11-13-22(14-12-21)26(23,24)17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H,19,25)