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

Systemtic Name: methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[methyl-[4-(methylthio)benzyl]amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26N2O3S/c1-15(23(2)14-17-7-11-19(27-4)12-8-17)20(24)22-13-16-5-9-18(10-6-16)21(25)26-3/h5-12,15H,13-14H2,1-4H3,(H,22,24)