3-phenylpropyl 5-[(hexanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(hexanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(hexanoylamino)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(hexanoylamino)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(caproylamino)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O4S/c1-2-3-5-13-19(26)23-24-21(29)22-18(25)14-8-15-20(27)28-16-9-12-17-10-6-4-7-11-17/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3,(H,23,26)(H2,22,24,25,29)