4-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylimidazol-1-yl]-N-butyl-benzamide

Systemtic Name: 4-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylimidazol-1-yl]-N-butyl-benzamide Openeye Name: 4-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylimidazol-1-yl]-N-butyl-benzamide CAS Name: 4-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1-imidazolyl]-N-butylbenzamide IUPAC Name: 4-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-butylbenzamide Traditional Name: 4-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]imidazol-1-yl]-N-butyl-benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O2S/c1-2-3-12-24-21(29)16-4-10-19(11-5-16)27-14-13-25-22(27)30-15-20(28)26-18-8-6-17(23)7-9-18/h4-11,13-14H,2-3,12,15H2,1H3,(H,24,29)(H,26,28)