N-(1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3-chlorophenyl)piperazine-1-carbothioamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18ClN3O2S/c19-13-2-1-3-15(10-13)21-6-8-22(9-7-21)18(25)20-14-4-5-16-17(11-14)24-12-23-16/h1-5,10-11H,6-9,12H2,(H,20,25)