N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[1-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3,4-dimethoxybenzamide Traditional Name: N-[1-[(3-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-3,4-dimethoxy-benzamide Formula: C20H21Cl3N4O4S MolecularWeight: 519.82914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H21Cl3N4O4S/c1-11(28)24-13-5-4-6-14(10-13)25-19(32)27-18(20(21,22)23)26-17(29)12-7-8-15(30-2)16(9-12)31-3/h4-10,18H,1-3H3,(H,24,28)(H,26,29)(H2,25,27,32)