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

Systemtic Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]-3-nitro-benzamide Openeye Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]-3-nitro-benzamide CAS Name: N-[1-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]-3-nitrobenzamide IUPAC Name: N-[1-[(3-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-nitrobenzamide Traditional Name: N-[1-[(3-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-3-nitro-benzamide Formula: C18H16Cl3N5O4S MolecularWeight: 504.77474

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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl3N5O4S/c1-10(27)22-12-5-3-6-13(9-12)23-17(31)25-16(18(19,20)21)24-15(28)11-4-2-7-14(8-11)26(29)30/h2-9,16H,1H3,(H,22,27)(H,24,28)(H2,23,25,31)