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

Systemtic Name: N-(2-chloranyl-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-3-methylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-3-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-3-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-14-5-4-6-15(19(14)22)23-21(29)25-11-9-24(10-12-25)20(26)18-13-27-16-7-2-3-8-17(16)28-18/h2-8,18H,9-13H2,1H3,(H,23,29)