2-[2-azanyl-1-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[2-azanyl-1-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-amino-1-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1H-benzimidazole-4-carboxamide CAS Name: 2-[[2-amino-1-(4-bromophenyl)-2-oxoethyl]thio]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-amino-1-(4-bromophenyl)-2-oxoethyl]sulfanyl-1H-benzimidazole-4-carboxamide Traditional Name: 2-[[2-amino-1-(4-bromophenyl)-2-keto-ethyl]thio]-1H-benzimidazole-4-carboxamide Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)SC(C3=CC=C(C=C3)Br)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)SC(C3=CC=C(C=C3)Br)C(=O)N)C(=O)N

InChI

InChI=1S/C16H13BrN4O2S/c17-9-6-4-8(5-7-9)13(15(19)23)24-16-20-11-3-1-2-10(14(18)22)12(11)21-16/h1-7,13H,(H2,18,22)(H2,19,23)(H,20,21)