N-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)piperazine-1-carbothioamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

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