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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-(4-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=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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