N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(benzimidazol-1-ylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-(1-benzimidazolylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(benzimidazol-1-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(benzimidazol-1-ylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NN3C=NC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NN3C=NC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C23H19N5O2S/c29-22(27-28-14-25-18-8-3-4-9-20(18)28)19(26-23(30)21-10-5-11-31-21)12-15-13-24-17-7-2-1-6-16(15)17/h1-11,13-14,19,24H,12H2,(H,26,30)(H,27,29)/t19-/m0/s1