1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)-4-methyl-phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)-4-methyl-phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)-4-methyl-phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)-4-methylphenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylsulfamoyl)-4-methylphenyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-piperonyl-thiourea Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-12-4-6-14(9-17(12)27(22,23)21(2)3)20-18(26)19-10-13-5-7-15-16(8-13)25-11-24-15/h4-9H,10-11H2,1-3H3,(H2,19,20,26)