3-phenylpropyl 5-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H27ClFN3O4S MolecularWeight: 556.048083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C28H27ClFN3O4S/c29-23-18-22(14-15-24(23)30)31-27(36)20-10-4-11-21(17-20)32-28(38)33-25(34)12-5-13-26(35)37-16-6-9-19-7-2-1-3-8-19/h1-4,7-8,10-11,14-15,17-18H,5-6,9,12-13,16H2,(H,31,36)(H2,32,33,34,38)