N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-pyrrol-1-yl-benzamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-pyrrol-1-yl-benzamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-pyrrol-1-yl-benzamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-pyrrol-1-ylbenzamide Traditional Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-pyrrol-1-yl-benzamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)N5C=CC=C5

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)N5C=CC=C5

InChI

InChI=1S/C22H20N4O2S/c27-21(16-4-3-5-18(14-16)25-8-1-2-9-25)23-17-6-7-19-20(15-17)29-22(24-19)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,23,27)