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

Systemtic Name: N-(4-bromophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22BrN3O2S2 MolecularWeight: 468.43088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O2S2/c1-2-15-3-9-18(10-4-15)27(24,25)23-13-11-22(12-14-23)19(26)21-17-7-5-16(20)6-8-17/h3-10H,2,11-14H2,1H3,(H,21,26)