3-[[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 3-[[2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 3-[[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl]thio]methyl]benzoate Formula: C21H24NO3S- MolecularWeight: 370.48516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CSCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CSCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C21H25NO3S/c1-3-11-22(13-17-9-7-16(2)8-10-17)20(23)15-26-14-18-5-4-6-19(12-18)21(24)25/h4-10,12H,3,11,13-15H2,1-2H3,(H,24,25)/p-1