2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]amino]benzoic acid Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c25-18(26)14-6-1-2-7-15(14)21-19(27)23-10-5-11-24(13-12-23)20-22-16-8-3-4-9-17(16)28-20/h1-4,6-9H,5,10-13H2,(H,21,27)(H,25,26)