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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(diethylsulfamoyl)-4-methyl-phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(diethylsulfamoyl)-4-methyl-phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(diethylsulfamoyl)-4-methylphenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(diethylsulfamoyl)-4-methylphenyl]thiourea Traditional Name: 1-[3-(diethylsulfamoyl)-4-methyl-phenyl]-3-piperonyl-thiourea Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-4-23(5-2)29(24,25)19-11-16(8-6-14(19)3)22-20(28)21-12-15-7-9-17-18(10-15)27-13-26-17/h6-11H,4-5,12-13H2,1-3H3,(H2,21,22,28)