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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C22H13ClIN3O3S MolecularWeight: 561.77939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClIN3O3S/c23-16-8-5-13(11-19(16)27(29)30)6-10-21(28)25-17-9-7-14(24)12-15(17)22-26-18-3-1-2-4-20(18)31-22/h1-12H,(H,25,28)