1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-(piperonyloylamino)thiourea Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H19N3O3S/c1-3-12-6-4-5-11(2)16(12)19-18(25)21-20-17(22)13-7-8-14-15(9-13)24-10-23-14/h4-9H,3,10H2,1-2H3,(H,20,22)(H2,19,21,25)