N-[(2S)-1-azanyl-3-(1H-indol-3-yl)propan-2-yl]-4-bromanyl-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)propan-2-yl]-4-bromanyl-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(aminomethyl)-2-(1H-indol-3-yl)ethyl]-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)propan-2-yl]-4-bromo-5-(2-methyl-3-pyrazolyl)-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)propan-2-yl]-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide Traditional Name: N-[(1S)-1-(aminomethyl)-2-(1H-indol-3-yl)ethyl]-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=C(C=C(S2)C(=O)NC(CC3=CNC4=CC=CC=C43)CN)Br

Isomeric SMILES

CN1C(=CC=N1)C2=C(C=C(S2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)CN)Br

InChI

InChI=1S/C20H20BrN5OS/c1-26-17(6-7-24-26)19-15(21)9-18(28-19)20(27)25-13(10-22)8-12-11-23-16-5-3-2-4-14(12)16/h2-7,9,11,13,23H,8,10,22H2,1H3,(H,25,27)/t13-/m0/s1