4-[(Z)-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[4-oxo-2-(4-phenylpiperazin-1-yl)thiazol-5-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[4-oxo-2-(4-phenyl-1-piperazinyl)-5-thiazolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-keto-2-(4-phenylpiperazino)-2-thiazolin-5-ylidene]methyl]benzoic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c25-19-18(14-15-6-8-16(9-7-15)20(26)27)28-21(22-19)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,26,27)/b18-14-