N-[(2S)-3-(1H-indol-3-yl)-1-[(5-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(5-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[(5-methyl-2-pyridyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(5-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(5-methylpyridin-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(5-methyl-2-pyridyl)amino]ethyl]thiophene-2-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O2S/c1-14-8-9-20(24-12-14)26-21(27)18(25-22(28)19-7-4-10-29-19)11-15-13-23-17-6-3-2-5-16(15)17/h2-10,12-13,18,23H,11H2,1H3,(H,25,28)(H,24,26,27)/t18-/m0/s1