methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H24N2O3S/c1-22(13-16-6-10-18(26-3)11-7-16)14-19(23)21-12-15-4-8-17(9-5-15)20(24)25-2/h4-11H,12-14H2,1-3H3,(H,21,23)