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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C26H22IN3OS2 MolecularWeight: 583.50685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H22IN3OS2/c1-16(2)18-10-7-17(8-11-18)9-14-24(31)30-26(32)29-21-13-12-19(27)15-20(21)25-28-22-5-3-4-6-23(22)33-25/h3-16H,1-2H3,(H2,29,30,31,32)