N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-thiazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]-4-morpholino-3-nitro-benzamide Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S2/c27-19(13-5-6-16(17(11-13)26(28)29)25-7-9-30-10-8-25)24-21-23-15(12-31-21)20-22-14-3-1-2-4-18(14)32-20/h1-6,11-12H,7-10H2,(H,23,24,27)