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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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