methyl N-[[5-(4-chloranylphenoxy)-2-(4-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[5-(4-chloranylphenoxy)-2-(4-oxidanylidenebutanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-(4-chlorophenoxy)-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-(4-chlorophenoxy)-2-(1,4-dioxobutylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-(4-chlorophenoxy)-2-(4-oxobutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-(4-chlorophenoxy)-2-(4-ketobutanoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)NC(=O)CCC=O

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)NC(=O)CCC=O

InChI

InChI=1S/C19H18ClN3O5S/c1-27-19(26)23-18(29)22-16-11-14(28-13-6-4-12(20)5-7-13)8-9-15(16)21-17(25)3-2-10-24/h4-11H,2-3H2,1H3,(H,21,25)(H2,22,23,26,29)