N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4S/c22-16-5-6-18-19(14-16)31-21(23-18)25(8-2-7-24-9-11-30-12-10-24)20(27)15-3-1-4-17(13-15)26(28)29/h1,3-6,13-14H,2,7-12H2