(Z)-N-(1-adamantyl)-4-(4-methylphenyl)-2-oxidanylidene-4-phenylsulfanyl-but-3-enamide

Systemtic Name: (Z)-N-(1-adamantyl)-4-(4-methylphenyl)-2-oxidanylidene-4-phenylsulfanyl-but-3-enamide Openeye Name: (Z)-N-(1-adamantyl)-2-oxo-4-phenylsulfanyl-4-(p-tolyl)but-3-enamide CAS Name: (Z)-N-(1-adamantyl)-4-(4-methylphenyl)-2-oxo-4-(phenylthio)-3-butenamide IUPAC Name: (Z)-N-(1-adamantyl)-4-(4-methylphenyl)-2-oxo-4-phenylsulfanylbut-3-enamide Traditional Name: (Z)-N-(1-adamantyl)-2-keto-4-(phenylthio)-4-(p-tolyl)but-3-enamide Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/C(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)/SC5=CC=CC=C5

InChI

InChI=1S/C27H29NO2S/c1-18-7-9-22(10-8-18)25(31-23-5-3-2-4-6-23)14-24(29)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h2-10,14,19-21H,11-13,15-17H2,1H3,(H,28,30)/b25-14-