3-phenylpropyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2,2-diphenylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c32-24(18-19-25(33)35-20-10-13-21-11-4-1-5-12-21)29-28(36)31-30-27(34)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,26H,10,13,18-20H2,(H,30,34)(H2,29,31,32,36)