N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide

Systemtic Name: N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide Openeye Name: N-[2-methoxy-4-(p-tolylsulfonylamino)phenyl]benzenecarbothioamide CAS Name: N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide IUPAC Name: N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide Traditional Name: N-[2-methoxy-4-(tosylamino)phenyl]thiobenzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=S)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=S)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O3S2/c1-15-8-11-18(12-9-15)28(24,25)23-17-10-13-19(20(14-17)26-2)22-21(27)16-6-4-3-5-7-16/h3-14,23H,1-2H3,(H,22,27)