1-(3-methylphenyl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]thiourea Openeye Name: 1-[4-(benzylsulfamoyl)phenyl]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-[4-(benzylsulfamoyl)phenyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[4-(benzylsulfamoyl)phenyl]-3-(m-tolyl)thiourea Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-16-6-5-9-19(14-16)24-21(27)23-18-10-12-20(13-11-18)28(25,26)22-15-17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H2,23,24,27)