ethyl 4-[(2-ethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(2-ethoxyphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(2-ethoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-(o-phenetylthiocarbamoylamino)butyric acid ethyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NCCCC(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NCCCC(=O)OCC

InChI

InChI=1S/C15H22N2O3S/c1-3-19-13-9-6-5-8-12(13)17-15(21)16-11-7-10-14(18)20-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,16,17,21)