1-(4-bromanyl-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C16H15BrN2O2S/c1-10-8-11(2-4-13(10)17)18-16(22)19-12-3-5-14-15(9-12)21-7-6-20-14/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)