N-(3-ethylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3-ethylphenyl)piperazine-1-carbothioamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-2-16-7-6-8-17(15-16)20-19(25)21-11-13-22(14-12-21)26(23,24)18-9-4-3-5-10-18/h3-10,15H,2,11-14H2,1H3,(H,20,25)