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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-methyl-3-(methylsulfamoyl)phenyl]-3-piperonyl-thiourea Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c1-11-3-5-13(8-16(11)26(21,22)18-2)20-17(25)19-9-12-4-6-14-15(7-12)24-10-23-14/h3-8,18H,9-10H2,1-2H3,(H2,19,20,25)