methyl 4-[[(4-ethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-ethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-ethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-ethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-ethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-ethoxybenzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-3-22-12-8-6-11(7-9-12)14(20)17-18-15(23)16-10-4-5-13(19)21-2/h6-9H,3-5,10H2,1-2H3,(H,17,20)(H2,16,18,23)