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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]valeramide Formula: C19H18IN3OS2 MolecularWeight: 495.40019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=C(C=C1)I)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18IN3OS2/c1-2-3-8-17(24)23-19(25)22-14-10-9-12(20)11-13(14)18-21-15-6-4-5-7-16(15)26-18/h4-7,9-11H,2-3,8H2,1H3,(H2,22,23,24,25)