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

Systemtic Name: 5-chloranyl-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O4S/c1-22(2)8-9-23(18(25)14-10-12(20)4-7-16(14)24(26)27)19-21-15-6-5-13(28-3)11-17(15)29-19/h4-7,10-11H,8-9H2,1-3H3