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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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