[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=CC3=C(C=C2)OCCO3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=CC3=C(C=C2)OCCO3)C)SC#N

InChI

InChI=1S/C19H18N2O3S2/c1-12-7-15(26-11-20)8-13(2)19(12)21-18(22)10-25-14-3-4-16-17(9-14)24-6-5-23-16/h3-4,7-9H,5-6,10H2,1-2H3,(H,21,22)