phenethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[5-(butanoylamino)-2-chlorophenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-butyramido-2-chloro-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H26ClN3O4S/c1-2-6-20(28)25-17-9-10-18(24)19(15-17)26-23(32)27-21(29)11-12-22(30)31-14-13-16-7-4-3-5-8-16/h3-5,7-10,15H,2,6,11-14H2,1H3,(H,25,28)(H2,26,27,29,32)