methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[(homoveratrylthiocarbamoylamino)carbamoyl]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C20H23N3O5S/c1-26-16-9-4-13(12-17(16)27-2)10-11-21-20(29)23-22-18(24)14-5-7-15(8-6-14)19(25)28-3/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H2,21,23,29)