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

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Formula: C18H27ClN4O2S2 MolecularWeight: 431.01558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O2S2/c1-2-21-9-3-4-16(21)14-20-18(26)22-10-12-23(13-11-22)27(24,25)17-7-5-15(19)6-8-17/h5-8,16H,2-4,9-14H2,1H3,(H,20,26)