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

Systemtic Name: N-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-oxo-2-(4-pyridylmethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-keto-2-(4-pyridylmethylamino)ethyl]-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)NCC(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NCC4=CC=NC=C4

InChI

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