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

Systemtic Name: N-(3-azanylpropyl)-4-bromanyl-N-[(1R)-2-methyl-1-[1-(phenylmethyl)benzimidazol-2-yl]propyl]-5-propyl-thiophene-2-carboxamide Openeye Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methyl-propyl]-4-bromo-5-propyl-thiophene-2-carboxamide CAS Name: N-(3-aminopropyl)-4-bromo-N-[(1R)-2-methyl-1-[1-(phenylmethyl)-2-benzimidazolyl]propyl]-5-propyl-2-thiophenecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-bromo-5-propylthiophene-2-carboxamide Traditional Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methyl-propyl]-4-bromo-5-propyl-thiophene-2-carboxamide Formula: C29H35BrN4OS MolecularWeight: 567.5834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N(CCCN)C(C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(C)C)Br

Isomeric SMILES

CCCC1=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/C29H35BrN4OS/c1-4-11-25-22(30)18-26(36-25)29(35)33(17-10-16-31)27(20(2)3)28-32-23-14-8-9-15-24(23)34(28)19-21-12-6-5-7-13-21/h5-9,12-15,18,20,27H,4,10-11,16-17,19,31H2,1-3H3/t27-/m1/s1