N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(2-morpholin-4-ylethyl)-5-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(2-morpholin-4-ylethyl)-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(2-morpholinoethyl)-5-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[2-(4-morpholinyl)ethyl]-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(2-morpholinoethyl)-5-nitro-benzamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O4S/c21-16-6-5-14(25(27)28)13-15(16)19(26)24(8-7-23-9-11-29-12-10-23)20-22-17-3-1-2-4-18(17)30-20/h1-6,13H,7-12H2