N-[(2S)-1-[(4-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[(4-cyanophenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-(4-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-(4-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-(4-cyanoanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-(4-cyanoanilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=C(C=C3)C#N)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=CC=C(C=C3)C#N)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H18N4O2S/c24-13-15-7-9-17(10-8-15)26-22(28)20(27-23(29)21-6-3-11-30-21)12-16-14-25-19-5-2-1-4-18(16)19/h1-11,14,20,25H,12H2,(H,26,28)(H,27,29)/t20-/m0/s1