ethyl 4-[5-[(Z)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-(benzylcarbamothioylhydrazono)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(benzylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=N\NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-27-21(26)18-10-8-17(9-11-18)20-13-12-19(28-20)15-24-25-22(29)23-14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H2,23,25,29)/b24-15-