N-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-hydroxyphenyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O3S/c23-16-4-2-15(3-5-16)21-7-9-22(10-8-21)19(26)20-12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11,23H,7-10,12-13H2,(H,20,26)