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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-chloranyl-N-(2-dimethylaminoethyl)-2-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-(2-dimethylaminoethyl)-2-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-(2-dimethylaminoethyl)-2-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-(2-dimethylaminoethyl)-2-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-chloro-N-(2-dimethylaminoethyl)-2-nitro-benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

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