4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid CAS Name: 4-[1-[(2-methyl-4-thiazolyl)methyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[1-[(2-methylthiazol-4-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CN2C3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)O

InChI

InChI=1S/C18H21N5O2S/c1-13-19-14(12-26-13)11-23-16-6-3-2-5-15(16)20-17(23)21-7-4-8-22(10-9-21)18(24)25/h2-3,5-6,12H,4,7-11H2,1H3,(H,24,25)