[4-[2-(1-adamantylsulfanyl)ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(1-adamantylsulfanyl)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(1-adamantylsulfanyl)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(1-adamantylthio)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(1-adamantylsulfanyl)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(1-adamantylthio)acetyl]amino]-3-methyl-phenyl] ester Formula: C20H24N2OS2 MolecularWeight: 372.54736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24N2OS2/c1-13-4-17(24-12-21)2-3-18(13)22-19(23)11-25-20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,14-16H,5-11H2,1H3,(H,22,23)