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

Systemtic Name: 3-phenylpropyl 4-[(3-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c29-22(11-12-23(30)33-15-5-8-19-6-2-1-3-7-19)27-25(34)26-21-10-4-9-20(18-21)24(31)28-13-16-32-17-14-28/h1-4,6-7,9-10,18H,5,8,11-17H2,(H2,26,27,29,34)