[4-[2-(4-methoxyphenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(4-methoxyphenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-methoxyphenyl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S2/c1-12-8-16(24-11-19)9-13(2)18(12)20-17(21)10-23-15-6-4-14(22-3)5-7-15/h4-9H,10H2,1-3H3,(H,20,21)