1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-sulfamoyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-sulfamoyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-sulfamoyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-sulfamoylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-3-sulfamoylphenyl)thiourea Traditional Name: 1-(4-methyl-3-sulfamoyl-phenyl)-3-piperonyl-thiourea Formula: C16H17N3O4S2 MolecularWeight: 379.45388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N

InChI

InChI=1S/C16H17N3O4S2/c1-10-2-4-12(7-15(10)25(17,20)21)19-16(24)18-8-11-3-5-13-14(6-11)23-9-22-13/h2-7H,8-9H2,1H3,(H2,17,20,21)(H2,18,19,24)