[4-[2-(1-adamantylsulfanyl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(1-adamantylsulfanyl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(1-adamantylsulfanyl)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(1-adamantylthio)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(1-adamantylsulfanyl)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(1-adamantylthio)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C21H26N2OS2 MolecularWeight: 386.57394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC23CC4CC(C2)CC(C4)C3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC23CC4CC(C2)CC(C4)C3)C)SC#N

InChI

InChI=1S/C21H26N2OS2/c1-13-3-18(25-12-22)4-14(2)20(13)23-19(24)11-26-21-8-15-5-16(9-21)7-17(6-15)10-21/h3-4,15-17H,5-11H2,1-2H3,(H,23,24)