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

Systemtic Name: 4-[(Z)-[4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-ylidene]methyl]benzoate Openeye Name: 4-[(Z)-[4-oxo-2-(4-phenylpiperazin-1-yl)thiazol-5-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[4-oxo-2-(4-phenyl-1-piperazinyl)-5-thiazolylidene]methyl]benzoate IUPAC Name: 4-[(Z)-[4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[4-keto-2-(4-phenylpiperazino)-2-thiazolin-5-ylidene]methyl]benzoate Formula: C21H18N3O3S- MolecularWeight: 392.45092

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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)/p-1/b18-14-