N-(4-bromanyl-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-14-12-15(6-7-16(14)22)23-21(29)25-10-8-24(9-11-25)20(26)19-13-27-17-4-2-3-5-18(17)28-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,29)