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

Systemtic Name: phenethyl 4-[(3-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c28-21(9-10-22(29)32-14-11-18-5-2-1-3-6-18)26-24(33)25-20-8-4-7-19(17-20)23(30)27-12-15-31-16-13-27/h1-8,17H,9-16H2,(H2,25,26,28,33)