methyl 6-[[(4-methylphenyl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4-methylphenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-methylbenzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-methylbenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[(p-toluoylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-12-7-9-13(10-8-12)15(21)18-19-16(23)17-11-5-3-4-6-14(20)22-2/h7-10H,3-6,11H2,1-2H3,(H,18,21)(H2,17,19,23)