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

Systemtic Name: methyl 4-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-23(16-6-4-3-5-7-16)19(26)14-8-10-15(11-9-14)21-20(28)22-17(24)12-13-18(25)27-2/h3-11H,12-13H2,1-2H3,(H2,21,22,24,28)