3-phenylpropyl 5-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(tert-butylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O4S/c1-26(2,3)29-24(32)20-13-7-14-21(18-20)27-25(34)28-22(30)15-8-16-23(31)33-17-9-12-19-10-5-4-6-11-19/h4-7,10-11,13-14,18H,8-9,12,15-17H2,1-3H3,(H,29,32)(H2,27,28,30,34)