methyl 2-[4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C20H23N3O6S/c1-26-15-10-13(11-16(27-2)18(15)29-4)19(25)22-23-20(30)21-14-7-5-12(6-8-14)9-17(24)28-3/h5-8,10-11H,9H2,1-4H3,(H,22,25)(H2,21,23,30)