N-(3-cyanophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4O3S/c22-13-15-4-3-5-16(12-15)23-21(29)25-10-8-24(9-11-25)20(26)19-14-27-17-6-1-2-7-18(17)28-19/h1-7,12,19H,8-11,14H2,(H,23,29)