N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O3S/c24-18-11-7-15(13-20(18)27(29)30)8-12-22(28)25-14-16-5-9-17(10-6-16)23-26-19-3-1-2-4-21(19)31-23/h1-13H,14H2,(H,25,28)