N-(3-methylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(m-tolyl)piperazine-1-carbothioamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-16-6-5-9-18(14-16)20-19(25)21-10-12-22(13-11-21)26(23,24)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,20,25)