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

Systemtic Name: 2-chloranyl-5-nitro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-chloro-N-(6-isopropyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-5-nitro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-chloro-5-nitro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-chloro-N-(6-isopropyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-9(2)10-3-6-14-15(7-10)25-17(19-14)20-16(22)12-8-11(21(23)24)4-5-13(12)18/h3-9H,1-2H3,(H,19,20,22)