N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-[(2-quinolylthio)methyl]benzamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=C(C=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C28H24N4O2S/c29-27(33)25(15-21-16-30-24-8-4-2-6-22(21)24)32-28(34)20-11-9-18(10-12-20)17-35-26-14-13-19-5-1-3-7-23(19)31-26/h1-14,16,25,30H,15,17H2,(H2,29,33)(H,32,34)/t25-/m0/s1