5-chloranyl-2-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 5-chloranyl-2-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 5-chloro-N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-2-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 5-chloro-2-nitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 5-chloro-N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O3S/c1-4-9-23-17-7-5-13(12(2)3)10-18(17)28-20(23)22-19(25)15-11-14(21)6-8-16(15)24(26)27/h5-8,10-12H,4,9H2,1-3H3