N-[(3,4-dichlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C21H21Cl2N3O3S MolecularWeight: 466.38074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O3S/c22-15-6-5-14(11-16(15)23)12-24-21(30)26-9-7-25(8-10-26)20(27)19-13-28-17-3-1-2-4-18(17)29-19/h1-6,11,19H,7-10,12-13H2,(H,24,30)