[4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=C(C=C3C)SC#N)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=C(C=C3C)SC#N)C

InChI

InChI=1S/C22H21N3OS2/c1-13-6-5-7-18-14(2)10-20(25-22(13)18)27-11-19(26)24-21-15(3)8-17(28-12-23)9-16(21)4/h5-10H,11H2,1-4H3,(H,24,26)