phenethyl 4-[[(2-methoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[(2-methoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(2-methoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2-methoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(o-anisoylamino)thiocarbamoylamino]butyric acid phenethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S/c1-28-17-10-6-5-9-16(17)20(27)23-24-21(30)22-18(25)11-12-19(26)29-14-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,23,27)(H2,22,24,25,30)