ethyl 4-[5-[(Z)-(3-ethoxypropylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(Z)-(3-ethoxypropylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(Z)-(3-ethoxypropylcarbamothioylhydrazono)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-[[(3-ethoxypropylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(Z)-(3-ethoxypropylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(3-ethoxypropylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NN=CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOCCCNC(=S)N/N=C\C1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H25N3O4S/c1-3-25-13-5-12-21-20(28)23-22-14-17-10-11-18(27-17)15-6-8-16(9-7-15)19(24)26-4-2/h6-11,14H,3-5,12-13H2,1-2H3,(H2,21,23,28)/b22-14-