1-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-(3,4-dimethylphenyl)thiourea Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C18H19N3O3S/c1-11-7-8-13(9-12(11)2)19-18(25)21-20-17(22)16-10-23-14-5-3-4-6-15(14)24-16/h3-9,16H,10H2,1-2H3,(H,20,22)(H2,19,21,25)