N-[3-(1,3-benzothiazol-6-ylcarbonylamino)pyridin-4-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-6-ylcarbonylamino)pyridin-4-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-(1,3-benzothiazole-6-carbonylamino)-4-pyridyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-pyridinyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-(1,3-benzothiazole-6-carbonylamino)pyridin-4-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-(1,3-benzothiazole-6-carbonylamino)-4-pyridyl]-1,3-benzothiazole-6-carboxamide Formula: C21H13N5O2S2 MolecularWeight: 431.49022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=C(C=NC=C3)NC(=O)C4=CC5=C(C=C4)N=CS5)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=C(C=NC=C3)NC(=O)C4=CC5=C(C=C4)N=CS5)SC=N2

InChI

InChI=1S/C21H13N5O2S2/c27-20(12-1-3-15-18(7-12)29-10-23-15)25-14-5-6-22-9-17(14)26-21(28)13-2-4-16-19(8-13)30-11-24-16/h1-11H,(H,26,28)(H,22,25,27)