N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S/c1-21(2)8-9-22(17(24)12-4-3-5-14(10-12)23(25)26)18-20-15-7-6-13(19)11-16(15)27-18/h3-7,10-11H,8-9H2,1-2H3