methyl 4-[[(4-ethoxy-3-methoxy-phenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-ethoxy-3-methoxy-phenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-ethoxy-3-methoxy-benzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-ethoxy-3-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-ethoxy-3-methoxy-benzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

InChI

InChI=1S/C16H23N3O5S/c1-4-24-12-8-7-11(10-13(12)22-2)15(21)18-19-16(25)17-9-5-6-14(20)23-3/h7-8,10H,4-6,9H2,1-3H3,(H,18,21)(H2,17,19,25)