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

Systemtic Name: 3-phenylpropyl 5-[[3-(butylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(butylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(butylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(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:

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

Isomeric SMILES

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

InChI

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