ethyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C22H25N3O4S/c1-3-25(18-8-6-5-7-9-18)21(28)16-10-12-17(13-11-16)23-22(30)24-19(26)14-15-20(27)29-4-2/h5-13H,3-4,14-15H2,1-2H3,(H2,23,24,26,30)