(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylene)-2-(4-phenylpiperazin-1-yl)thiazol-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-phenyl-1-piperazinyl)-4-thiazolone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-phenylpiperazino)-5-piperonylidene-2-thiazolin-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C(=CC4=CC5=C(C=C4)OCO5)S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/S3

InChI

InChI=1S/C21H19N3O3S/c25-20-19(13-15-6-7-17-18(12-15)27-14-26-17)28-21(22-20)24-10-8-23(9-11-24)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2/b19-13-