N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O3S/c1-14-6-9-16(23-26-18-4-2-3-5-21(18)31-23)13-19(14)25-22(28)11-8-15-7-10-17(24)20(12-15)27(29)30/h2-13H,1H3,(H,25,28)