N-[(2S)-1-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H26N4O2S2/c1-16-15-17(2)26-24(25-16)32-20-11-9-19(10-12-20)27-23(30)21(13-14-31-3)28-22(29)18-7-5-4-6-8-18/h4-12,15,21H,13-14H2,1-3H3,(H,27,30)(H,28,29)/t21-/m0/s1