N-naphthalen-1-yl-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-naphthalen-1-yl-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(1-naphthyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: 4-besyl-N-(1-naphthyl)piperazine-1-carbothioamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S2/c25-28(26,18-9-2-1-3-10-18)24-15-13-23(14-16-24)21(27)22-20-12-6-8-17-7-4-5-11-19(17)20/h1-12H,13-16H2,(H,22,27)