[4-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(3-acetamido-4-methoxy-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C)C)SC#N

InChI

InChI=1S/C18H19N3O4S2/c1-11-7-14(26-10-19)8-12(2)18(11)21-27(23,24)15-5-6-17(25-4)16(9-15)20-13(3)22/h5-9,21H,1-4H3,(H,20,22)