4-[[5-[(4-butylphenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[5-[(4-butylphenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[3-allyl-5-[(4-butylphenyl)methyl]-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-[(4-butylphenyl)methyl]-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-[(4-butylphenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[3-allyl-5-(4-butylbenzyl)-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)CC=C

InChI

InChI=1S/C24H26N2O3S/c1-3-5-6-17-7-9-18(10-8-17)16-21-22(27)26(15-4-2)24(30-21)25-20-13-11-19(12-14-20)23(28)29/h4,7-14,21H,2-3,5-6,15-16H2,1H3,(H,28,29)