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

Systemtic Name: propyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[5-(butanoylamino)-2-chlorophenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-butyramido-2-chloro-phenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H24ClN3O4S MolecularWeight: 413.91886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O4S/c1-3-5-15(23)20-12-6-7-13(19)14(11-12)21-18(27)22-16(24)8-9-17(25)26-10-4-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,23)(H2,21,22,24,27)