N-[4-(azepan-1-ylcarbonyl)phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-1,2-benzothiazole-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2S/c25-20(19-17-7-3-4-8-18(17)27-23-19)22-16-11-9-15(10-12-16)21(26)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,25)