4-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: N-(1-phenylethyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: N-(1-phenylethyl)-4-tosyl-piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-16-8-10-19(11-9-16)27(24,25)23-14-12-22(13-15-23)20(26)21-17(2)18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3,(H,21,26)