methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C24H30N2O4S/c1-6-20(22(28)26-19-13-8-7-12-18(19)23(29)30-5)31-17-11-9-10-16(14-17)25-21(27)15-24(2,3)4/h7-14,20H,6,15H2,1-5H3,(H,25,27)(H,26,28)