[4-[(Z)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(Z)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(Z)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(Z)-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C24H25NO3S2 MolecularWeight: 439.5902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C)/SC1=S

InChI

InChI=1S/C24H25NO3S2/c1-3-4-5-6-14-25-22(26)21(30-24(25)29)16-18-10-12-20(13-11-18)28-23(27)19-9-7-8-17(2)15-19/h7-13,15-16H,3-6,14H2,1-2H3/b21-16-