N-(3-methylsulfanylpropyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C19H25N3O2S3 MolecularWeight: 423.6157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S3/c1-26-14-4-9-20-19(25)21-10-12-22(13-11-21)27(23,24)18-8-7-16-5-2-3-6-17(16)15-18/h2-3,5-8,15H,4,9-14H2,1H3,(H,20,25)