4-[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[(3S)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]acetyl]amino]benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)N)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)N)C#N)C

InChI

InChI=1S/C18H17N5O3S/c1-18(2)12(7-19)16(26)23-17(13(18)8-20)27-9-14(24)22-11-5-3-10(4-6-11)15(21)25/h3-6,12H,9H2,1-2H3,(H2,21,25)(H,22,24)(H,23,26)/t12-/m0/s1