N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-14-4-3-5-15(12-14)22-20(28)24-10-8-23(9-11-24)19(25)18-13-26-16-6-1-2-7-17(16)27-18/h1-7,12,18H,8-11,13H2,(H,22,28)