3-phenylpropyl 5-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5S/c1-33-18-7-17-27-25(32)21-13-15-22(16-14-21)28-26(35)29-23(30)11-5-12-24(31)34-19-6-10-20-8-3-2-4-9-20/h2-4,8-9,13-16H,5-7,10-12,17-19H2,1H3,(H,27,32)(H2,28,29,30,35)