methyl 4-[3-(2-azanylbutanoylamino)phenyl]sulfanylbenzoate

Systemtic Name: methyl 4-[3-(2-azanylbutanoylamino)phenyl]sulfanylbenzoate Openeye Name: methyl 4-[3-(2-aminobutanoylamino)phenyl]sulfanylbenzoate CAS Name: 4-[[3-[(2-amino-1-oxobutyl)amino]phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-aminobutanoylamino)phenyl]sulfanylbenzoate Traditional Name: 4-[[3-(2-aminobutanoylamino)phenyl]thio]benzoic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C18H20N2O3S/c1-3-16(19)17(21)20-13-5-4-6-15(11-13)24-14-9-7-12(8-10-14)18(22)23-2/h4-11,16H,3,19H2,1-2H3,(H,20,21)