4-(3-bromophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Formula: C18H27BrN4O2S2 MolecularWeight: 475.46658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN4O2S2/c1-2-21-8-4-6-16(21)14-20-18(26)22-9-11-23(12-10-22)27(24,25)17-7-3-5-15(19)13-17/h3,5,7,13,16H,2,4,6,8-12,14H2,1H3,(H,20,26)