(E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H28N2OS/c1-15(22-12-17-9-18(13-22)11-19(10-17)14-22)23-21(26)24-20(25)8-7-16-5-3-2-4-6-16/h2-8,15,17-19H,9-14H2,1H3,(H2,23,24,25,26)/b8-7+/t15-,17?,18?,19?,22?/m1/s1