propyl 4-oxidanylidene-4-[(2-phenylmethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[(2-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: propyl 4-[(2-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(2-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-benzoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1OCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-2-14-26-20(25)13-12-19(24)23-21(28)22-17-10-6-7-11-18(17)27-15-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H2,22,23,24,28)