3-phenylpropyl 5-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-(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=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

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