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

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[2-(2-methylpropanoylamino)ethylamino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[2-(isobutyrylamino)ethylamino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-14(2)20(27)23-9-10-24-21(28)18(26-22(29)19-8-5-11-30-19)12-15-13-25-17-7-4-3-6-16(15)17/h3-8,11,13-14,18,25H,9-10,12H2,1-2H3,(H,23,27)(H,24,28)(H,26,29)/t18-/m0/s1