(E)-N-[(2-chloranyl-4-iodanyl-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(2-chloranyl-4-iodanyl-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(2-chloro-4-iodo-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(2-chloro-4-iodoanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-chloro-4-iodo-phenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C16H11ClIN3O3S MolecularWeight: 487.69931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)I)Cl

InChI

InChI=1S/C16H11ClIN3O3S/c17-13-9-11(18)5-6-14(13)19-16(25)20-15(22)7-4-10-2-1-3-12(8-10)21(23)24/h1-9H,(H2,19,20,22,25)/b7-4+