N-[3-(1,3-benzothiazol-2-ylcarbonylamino)pyridin-4-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylcarbonylamino)pyridin-4-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[3-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]-4-pyridinyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[3-(1,3-benzothiazole-2-carbonylamino)pyridin-4-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridyl]-1,3-benzothiazole-2-carboxamide Formula: C21H13N5O2S2 MolecularWeight: 431.49022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=C(C=NC=C3)NC(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=C(C=NC=C3)NC(=O)C4=NC5=CC=CC=C5S4

InChI

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