4-[(4-bromophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-bromophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-bromophenyl)methyl]-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-bromophenyl)methyl]-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4-bromophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-bromobenzyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C22H27BrN4O3S2 MolecularWeight: 539.50878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27BrN4O3S2/c23-19-3-1-18(2-4-19)17-25-9-11-26(12-10-25)22(31)24-20-5-7-21(8-6-20)32(28,29)27-13-15-30-16-14-27/h1-8H,9-17H2,(H,24,31)