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

Systemtic Name: 3-phenylpropyl 5-[(butanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(butanoylamino)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(1-oxobutylhydrazo)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(butanoylamino)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-(butyramidothiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-2-8-17(24)21-22-19(27)20-16(23)12-6-13-18(25)26-14-7-11-15-9-4-3-5-10-15/h3-5,9-10H,2,6-8,11-14H2,1H3,(H,21,24)(H2,20,22,23,27)