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

Systemtic Name: 5-chloranyl-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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