methyl 4-[(2-propoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-propoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-propoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-propoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-propoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-propoxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-3-11-20-13-8-5-4-7-12(13)17-15(21)16-10-6-9-14(18)19-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,17,21)