2-methoxyethyl 4-[[(2-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(2-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(o-toluoylamino)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C16H21N3O5S/c1-11-5-3-4-6-12(11)15(22)18-19-16(25)17-13(20)7-8-14(21)24-10-9-23-2/h3-6H,7-10H2,1-2H3,(H,18,22)(H2,17,19,20,25)