ethyl 4-[2-oxidanylidene-2-[2-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]hydrazinyl]ethoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(4-isopropylbenzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-[N'-(cumoylthiocarbamoyl)hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H25N3O5S/c1-4-29-21(28)17-9-11-18(12-10-17)30-13-19(26)24-25-22(31)23-20(27)16-7-5-15(6-8-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,24,26)(H2,23,25,27,31)