[(Z)-3-[2-(1-adamantylcarbothioylamino)phenyl]prop-2-enyl] ethanoate

Systemtic Name: [(Z)-3-[2-(1-adamantylcarbothioylamino)phenyl]prop-2-enyl] ethanoate Openeye Name: [(Z)-3-[2-(adamantane-1-carbothioylamino)phenyl]allyl] acetate CAS Name: acetic acid [(Z)-3-[2-[[1-adamantyl(sulfanylidene)methyl]amino]phenyl]prop-2-enyl] ester IUPAC Name: [(Z)-3-[2-(adamantane-1-carbothioylamino)phenyl]prop-2-enyl] acetate Traditional Name: acetic acid [(Z)-3-[2-(adamantane-1-carbothioylamino)phenyl]allyl] ester Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CC1=CC=CC=C1NC(=S)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)OC/C=C\C1=CC=CC=C1NC(=S)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO2S/c1-15(24)25-8-4-6-19-5-2-3-7-20(19)23-21(26)22-12-16-9-17(13-22)11-18(10-16)14-22/h2-7,16-18H,8-14H2,1H3,(H,23,26)/b6-4-