N-(4-bromophenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H26BrN3O2S2 MolecularWeight: 496.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O2S2/c1-16(2)15-17-3-9-20(10-4-17)29(26,27)25-13-11-24(12-14-25)21(28)23-19-7-5-18(22)6-8-19/h3-10,16H,11-15H2,1-2H3,(H,23,28)