N-[(2S)-3-(1H-indol-3-yl)-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-[(2-hydroxy-5-nitro-benzyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H20N4O5S/c28-20-8-7-16(27(31)32)10-15(20)13-25-22(29)19(26-23(30)21-6-3-9-33-21)11-14-12-24-18-5-2-1-4-17(14)18/h1-10,12,19,24,28H,11,13H2,(H,25,29)(H,26,30)/t19-/m0/s1