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

Systemtic Name: methyl 6-[[(4-ethylphenyl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-ethylbenzoyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(4-ethylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-ethylbenzoyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4-ethylbenzoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

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