4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbutanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbutanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-(2-bromoanilino)-2-keto-ethyl]-N-methyl-butyramide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H21BrN4O2S/c1-25(13-18(26)22-15-8-3-2-7-14(15)21)19(27)11-6-12-28-20-23-16-9-4-5-10-17(16)24-20/h2-5,7-10H,6,11-13H2,1H3,(H,22,26)(H,23,24)