N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-[5-(2,4-dichlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-[5-(2,4-dichlorophenyl)-2-furyl]acrylamide Formula: C27H16Cl2IN3O2S2 MolecularWeight: 676.37531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H16Cl2IN3O2S2/c28-15-5-9-18(20(29)13-15)23-11-7-17(35-23)8-12-25(34)33-27(36)32-21-10-6-16(30)14-19(21)26-31-22-3-1-2-4-24(22)37-26/h1-14H,(H2,32,33,34,36)