methyl 4-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(2-ethylanilino)-2-oxo-ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(2-ethylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-ethylanilino)-2-oxoethyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(2-ethylanilino)-2-keto-ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-3-12-7-4-5-8-13(12)19-14(20)11-18-16(23)17-10-6-9-15(21)22-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,19,20)(H2,17,18,23)