4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Formula: C20H21Cl2N3O2S MolecularWeight: 438.37064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21Cl2N3O2S/c21-16-3-1-14(11-17(16)22)13-24-5-7-25(8-6-24)20(28)23-15-2-4-18-19(12-15)27-10-9-26-18/h1-4,11-12H,5-10,13H2,(H,23,28)