N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbothioamide Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20ClN3O4S2/c20-14-2-1-3-15(12-14)21-19(28)22-6-8-23(9-7-22)29(24,25)16-4-5-17-18(13-16)27-11-10-26-17/h1-5,12-13H,6-11H2,(H,21,28)