N-butyl-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H25N3O2S2/c1-2-3-10-20-19(25)21-11-13-22(14-12-21)26(23,24)18-9-8-16-6-4-5-7-17(16)15-18/h4-9,15H,2-3,10-14H2,1H3,(H,20,25)