4-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: 4-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: 4-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]amino]butanoate IUPAC Name: 4-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]amino]butyrate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-2-10-19-13-7-4-3-6-12(13)18-16(19)23-11-14(20)17-9-5-8-15(21)22/h3-4,6-7H,2,5,8-11H2,1H3,(H,17,20)(H,21,22)/p-1