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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-2-3-6-13-27-20(26)15-9-11-16(12-10-15)22-19(25)14-28-21-23-17-7-4-5-8-18(17)24-21/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,22,25)(H,23,24)