methyl 2-[[2-hydroxyethyl(pentyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[2-hydroxyethyl(pentyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-hydroxyethyl(pentyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[2-hydroxyethyl(pentyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxyethyl(pentyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[amyl(2-hydroxyethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCO)C(=S)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCCN(CCO)C(=S)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C16H24N2O3S/c1-3-4-7-10-18(11-12-19)16(22)17-14-9-6-5-8-13(14)15(20)21-2/h5-6,8-9,19H,3-4,7,10-12H2,1-2H3,(H,17,22)