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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(3-morpholin-4-ylpropyl)-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3-morpholinopropyl)-5-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[3-(4-morpholinyl)propyl]-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3-morpholinopropyl)-5-nitro-benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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