1-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(o-tolylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(o-tolylsulfamoyl)phenyl]thiourea Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S2/c1-14-4-2-3-5-18(14)24-30(25,26)17-9-6-15(7-10-17)22-21(29)23-16-8-11-19-20(12-16)28-13-27-19/h2-12,24H,13H2,1H3,(H2,22,23,29)