2-chloranyl-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN4O3S/c1-5-25(6-2)9-10-26(21(28)17-13-16(27(29)30)7-8-18(17)23)22-24-19-11-14(3)15(4)12-20(19)31-22/h7-8,11-13H,5-6,9-10H2,1-4H3