1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)thiourea Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-10-7-11(2)16(12(19)8-10)20-18(26)22-21-17(23)15-9-24-13-5-3-4-6-14(13)25-15/h3-8,15H,9H2,1-2H3,(H,21,23)(H2,20,22,26)