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

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H30N4O2S2/c1-2-24-11-5-8-20(24)17-23-22(29)25-12-14-26(15-13-25)30(27,28)21-10-9-18-6-3-4-7-19(18)16-21/h3-4,6-7,9-10,16,20H,2,5,8,11-15,17H2,1H3,(H,23,29)