N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1,3-benzothiazole-6-carboxamide Formula: C21H13ClN4OS2 MolecularWeight: 436.93712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H13ClN4OS2/c22-15-5-3-6-17-19(15)25-21(29-17)26(11-14-4-1-2-9-23-14)20(27)13-7-8-16-18(10-13)28-12-24-16/h1-10,12H,11H2