methyl 4-[(4-phenylmethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-benzyloxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-benzoxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S/c1-23-18(22)8-5-13-20-19(25)21-16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H2,20,21,25)