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

Systemtic Name: N-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C18H20BrN3O2S2 MolecularWeight: 454.4043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2S2/c1-14-2-8-17(9-3-14)26(23,24)22-12-10-21(11-13-22)18(25)20-16-6-4-15(19)5-7-16/h2-9H,10-13H2,1H3,(H,20,25)