N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]benzamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]benzamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-12(2)19-15(21)11-18-17(23)14(9-10-24-3)20-16(22)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)/t14-/m0/s1