2-[(3E)-3-(3-octyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxidanylidene-indol-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3E)-3-(3-octyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxidanylidene-indol-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3E)-3-(3-octyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-2-oxo-indolin-1-yl]acetamide CAS Name: 2-[(3E)-3-(3-octyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-2-oxo-1-indolyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3E)-3-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide Traditional Name: N-benzyl-2-[(3E)-2-keto-3-(4-keto-3-octyl-2-thioxo-thiazolidin-5-ylidene)indolin-1-yl]acetamide Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C\2/C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C28H31N3O3S2/c1-2-3-4-5-6-12-17-30-27(34)25(36-28(30)35)24-21-15-10-11-16-22(21)31(26(24)33)19-23(32)29-18-20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19H2,1H3,(H,29,32)/b25-24+