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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C21H14IN3O2S2 MolecularWeight: 531.38923

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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=CO4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C=CC4=CC=CO4

InChI

InChI=1S/C21H14IN3O2S2/c22-13-7-9-16(15(12-13)20-23-17-5-1-2-6-18(17)29-20)24-21(28)25-19(26)10-8-14-4-3-11-27-14/h1-12H,(H2,24,25,26,28)