methyl 6-[(4-phenylmethoxyphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-phenylmethoxyphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-benzyloxyphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-phenylmethoxyphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-benzoxyphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-25-20(24)10-6-3-7-15-22-21(27)23-18-11-13-19(14-12-18)26-16-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16H2,1H3,(H2,22,23,27)