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

Systemtic Name: 3-phenylpropyl 5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-morpholinosulfonylphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H31N3O6S2 MolecularWeight: 533.66014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O6S2/c29-23(9-4-10-24(30)34-17-5-8-20-6-2-1-3-7-20)27-25(35)26-21-11-13-22(14-12-21)36(31,32)28-15-18-33-19-16-28/h1-3,6-7,11-14H,4-5,8-10,15-19H2,(H2,26,27,29,35)