methyl 4-[[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamothioylamino]butanoate Traditional Name: 4-[(2-keto-2-mesidino-ethyl)thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=S)NCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=S)NCCCC(=O)OC)C

InChI

InChI=1S/C17H25N3O3S/c1-11-8-12(2)16(13(3)9-11)20-14(21)10-19-17(24)18-7-5-6-15(22)23-4/h8-9H,5-7,10H2,1-4H3,(H,20,21)(H2,18,19,24)