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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c21-16-3-1-15(2-4-16)14-23-7-9-24(10-8-23)20(27)22-17-5-6-18-19(13-17)26-12-11-25-18/h1-6,13H,7-12,14H2,(H,22,27)