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

Systemtic Name: 2-methoxyethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[5-(butanoylamino)-2-chlorophenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-butyramido-2-chloro-phenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H24ClN3O5S MolecularWeight: 429.91826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O5S/c1-3-4-15(23)20-12-5-6-13(19)14(11-12)21-18(28)22-16(24)7-8-17(25)27-10-9-26-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,23)(H2,21,22,24,28)