[4-[2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-(2,6-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(2,6-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(N-mesyl-2,6-dimethyl-anilino)acetyl]amino]phenyl] ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)SC#N)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)SC#N)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O3S2/c1-13-5-4-6-14(2)18(13)21(26(3,23)24)11-17(22)20-15-7-9-16(10-8-15)25-12-19/h4-10H,11H2,1-3H3,(H,20,22)