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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-(4-chlorophenyl)acrylamide Formula: C23H15ClIN3OS2 MolecularWeight: 575.87217

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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(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)C=CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H15ClIN3OS2/c24-15-8-5-14(6-9-15)7-12-21(29)28-23(30)27-18-11-10-16(25)13-17(18)22-26-19-3-1-2-4-20(19)31-22/h1-13H,(H2,27,28,29,30)