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methyl 2-methoxy-5-[(phenethylcarbamothioylamino)methyl]benzoate

methyl 2-methoxy-5-[(phenethylcarbamothioylamino)methyl]benzoate

Systemtic Name:methyl 2-methoxy-5-[(phenethylcarbamothioylamino)methyl]benzoate
Openeye Name:methyl 2-methoxy-5-[(phenethylcarbamothioylamino)methyl]benzoate
CAS Name:2-methoxy-5-[[[(phenethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester
IUPAC Name:methyl 2-methoxy-5-[(phenethylcarbamothioylamino)methyl]benzoate
Traditional Name:2-methoxy-5-[(phenethylthiocarbamoylamino)methyl]benzoic acid methyl ester
Formula: C19H22N2O3S
MolecularWeight: 358.45458
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCCC2=CC=CC=C2)C(=O)OC


Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCCC2=CC=CC=C2)C(=O)OC


InChI

InChI=1S/C19H22N2O3S/c1-23-17-9-8-15(12-16(17)18(22)24-2)13-21-19(25)20-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,25)


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