3-phenylpropyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(hexanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(hexanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(hexanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(caproylamino)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-2-3-5-12-18(25)22-23-20(28)21-17(24)13-14-19(26)27-15-8-11-16-9-6-4-7-10-16/h4,6-7,9-10H,2-3,5,8,11-15H2,1H3,(H,22,25)(H2,21,23,24,28)