1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(o-tolyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylphenyl)thiourea Traditional Name: 1-(o-tolyl)-3-(piperonyloylamino)thiourea Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N3O3S/c1-10-4-2-3-5-12(10)17-16(23)19-18-15(20)11-6-7-13-14(8-11)22-9-21-13/h2-8H,9H2,1H3,(H,18,20)(H2,17,19,23)