3-methylbutyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: isopentyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzoic acid isoamyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H23N3O3S/c1-14(2)11-12-27-20(26)15-7-9-16(10-8-15)22-19(25)13-28-21-23-17-5-3-4-6-18(17)24-21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,24)