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

Systemtic Name: 3-phenylpropyl 4-[(butanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(butanoylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(1-oxobutylhydrazo)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(butanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-(butyramidothiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-2-7-16(23)20-21-18(26)19-15(22)11-12-17(24)25-13-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,20,23)(H2,19,21,22,26)