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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-2-9-20-27(22,23)15-6-4-14(5-7-15)21-18(26)19-11-13-3-8-16-17(10-13)25-12-24-16/h3-8,10,20H,2,9,11-12H2,1H3,(H2,19,21,26)