4-(4-methylphenyl)sulfonyl-N-naphthalen-1-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-naphthalen-1-yl-piperazine-1-carbothioamide Openeye Name: N-(1-naphthyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: N-(1-naphthyl)-4-tosyl-piperazine-1-carbothioamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O2S2/c1-17-9-11-19(12-10-17)29(26,27)25-15-13-24(14-16-25)22(28)23-21-8-4-6-18-5-2-3-7-20(18)21/h2-12H,13-16H2,1H3,(H,23,28)