2-chloranyl-N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-5-nitro-benzamide Formula: C21H22Cl2N4O4S MolecularWeight: 497.39478

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22Cl2N4O4S/c1-4-25(5-2)10-11-26(20(28)14-12-13(27(29)30)6-7-15(14)22)21-24-18-17(31-3)9-8-16(23)19(18)32-21/h6-9,12H,4-5,10-11H2,1-3H3