N-[(2S)-1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[(2S)-1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methylcarbamoyl]-3-(methylthio)propyl]-4-methoxy-benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H27N3O4S/c1-13-11-14(2)23-20(26)17(13)12-22-21(27)18(9-10-29-4)24-19(25)15-5-7-16(28-3)8-6-15/h5-8,11,18H,9-10,12H2,1-4H3,(H,22,27)(H,23,26)(H,24,25)/t18-/m0/s1