1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-(piperonyloylamino)thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-10-5-11(2)7-13(6-10)18-17(24)20-19-16(21)12-3-4-14-15(8-12)23-9-22-14/h3-8H,9H2,1-2H3,(H,19,21)(H2,18,20,24)