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

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(pentylamino)ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(amylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-2-3-6-11-22-20(25)18(24-21(26)19-10-7-12-27-19)13-15-14-23-17-9-5-4-8-16(15)17/h4-5,7-10,12,14,18,23H,2-3,6,11,13H2,1H3,(H,22,25)(H,24,26)/t18-/m0/s1