3-phenylpropyl 5-[(3-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5S/c30-23(12-5-13-24(31)34-16-6-9-20-7-2-1-3-8-20)28-26(35)27-22-11-4-10-21(19-22)25(32)29-14-17-33-18-15-29/h1-4,7-8,10-11,19H,5-6,9,12-18H2,(H2,27,28,30,35)