N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-(phenylcarbonyl)pyridine-2-carboxamide

Systemtic Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-(phenylcarbonyl)pyridine-2-carboxamide Openeye Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-benzoyl-pyridine-2-carboxamide CAS Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-benzoyl-2-pyridinecarboxamide IUPAC Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-benzoylpyridine-2-carboxamide Traditional Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-benzoyl-picolinamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)C(=O)NCCNC3=NSC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)C(=O)NCCNC3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H18N4O2S/c27-20(15-7-2-1-3-8-15)17-10-6-12-23-19(17)22(28)25-14-13-24-21-16-9-4-5-11-18(16)29-26-21/h1-12H,13-14H2,(H,24,26)(H,25,28)