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

Systemtic Name: methyl N-[[2-(4-oxidanylidenebutanoylamino)-5-phenoxy-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(4-oxobutanoylamino)-5-phenoxy-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1,4-dioxobutylamino)-5-phenoxyanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-oxobutanoylamino)-5-phenoxyphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-ketobutanoylamino)-5-phenoxy-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-26-19(25)22-18(28)21-16-12-14(27-13-6-3-2-4-7-13)9-10-15(16)20-17(24)8-5-11-23/h2-4,6-7,9-12H,5,8H2,1H3,(H,20,24)(H2,21,22,25,28)