1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethyl-5-sulfamoyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethyl-5-sulfamoyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethyl-5-sulfamoyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethyl-5-sulfamoylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethyl-5-sulfamoylphenyl)thiourea Traditional Name: 1-(2,3-dimethyl-5-sulfamoyl-phenyl)-3-piperonyl-thiourea Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N

InChI

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