butyl 4-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(3-aminophenyl)thio]butanoylamino]benzoic acid butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)N

InChI

InChI=1S/C21H26N2O3S/c1-3-5-13-26-21(25)15-9-11-17(12-10-15)23-20(24)19(4-2)27-18-8-6-7-16(22)14-18/h6-12,14,19H,3-5,13,22H2,1-2H3,(H,23,24)