2-bromanyl-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[(1S)-1-[(4-methoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[(1S)-3-(methylthio)-1-(p-anisylcarbamoyl)propyl]benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H23BrN2O3S/c1-26-15-9-7-14(8-10-15)13-22-20(25)18(11-12-27-2)23-19(24)16-5-3-4-6-17(16)21/h3-10,18H,11-13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1