5-chloranyl-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: 5-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCN1C2=C(C=CC(=C2SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H18ClN3O5S/c1-4-9-22-16-14(27-2)7-8-15(28-3)17(16)29-19(22)21-18(24)12-10-11(20)5-6-13(12)23(25)26/h5-8,10H,4,9H2,1-3H3