4-(3-bromophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H24BrN3O3S2/c1-27-18-7-5-16(6-8-18)9-10-22-20(28)23-11-13-24(14-12-23)29(25,26)19-4-2-3-17(21)15-19/h2-8,15H,9-14H2,1H3,(H,22,28)