methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-3-29-15-10-8-14(9-11-15)22-20(27)16-6-4-5-7-17(16)23-21(30)24-18(25)12-13-19(26)28-2/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H2,23,24,25,30)