propyl 4-[[(3-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(3-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(3-methylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(3-methylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(m-toluoylamino)thiocarbamoylamino]butyric acid propyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C16H21N3O4S/c1-3-9-23-14(21)8-7-13(20)17-16(24)19-18-15(22)12-6-4-5-11(2)10-12/h4-6,10H,3,7-9H2,1-2H3,(H,18,22)(H2,17,19,20,24)