N-[2-(pyridin-4-ylcarbonylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(pyridin-4-ylcarbonylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(pyridine-4-carbonylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[[oxo(pyridin-4-yl)methyl]amino]ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(pyridine-4-carbonylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-isonicotinamidoethyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCNC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCCNC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H17N5O2S/c26-18(14-5-7-21-8-6-14)22-9-10-23-19(27)15-3-4-16-17(13-15)28-20(24-16)25-11-1-2-12-25/h1-8,11-13H,9-10H2,(H,22,26)(H,23,27)