5-chloranyl-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c1-12-5-4-6-16-17(12)21-19(28-16)23(10-9-22(2)3)18(25)14-11-13(20)7-8-15(14)24(26)27/h4-8,11H,9-10H2,1-3H3