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

Systemtic Name: [4-[2-(4-acetamidophenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-acetamidophenyl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S2/c1-12-8-17(26-11-20)9-13(2)19(12)22-18(24)10-25-16-6-4-15(5-7-16)21-14(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)