methyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H23N3O5S/c1-12-5-10-17(11-13(12)2)29-14(3)18(25)23-24-21(30)22-19(26)15-6-8-16(9-7-15)20(27)28-4/h5-11,14H,1-4H3,(H,23,25)(H2,22,24,26,30)