N-(3-azanylpropyl)-4-bromanyl-5-ethyl-N-[(1R)-2-methyl-1-[1-(phenylmethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide

Systemtic Name: N-(3-azanylpropyl)-4-bromanyl-5-ethyl-N-[(1R)-2-methyl-1-[1-(phenylmethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide Openeye Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methyl-propyl]-4-bromo-5-ethyl-thiophene-2-carboxamide CAS Name: N-(3-aminopropyl)-4-bromo-5-ethyl-N-[(1R)-2-methyl-1-[1-(phenylmethyl)-2-benzimidazolyl]propyl]-2-thiophenecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-bromo-5-ethylthiophene-2-carboxamide Traditional Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methyl-propyl]-4-bromo-5-ethyl-thiophene-2-carboxamide Formula: C28H33BrN4OS MolecularWeight: 553.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N(CCCN)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(C)C)Br

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N(CCCN)[C@@H](C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(C)C)Br

InChI

InChI=1S/C28H33BrN4OS/c1-4-24-21(29)17-25(35-24)28(34)32(16-10-15-30)26(19(2)3)27-31-22-13-8-9-14-23(22)33(27)18-20-11-6-5-7-12-20/h5-9,11-14,17,19,26H,4,10,15-16,18,30H2,1-3H3/t26-/m1/s1