3,5-bis(chloranyl)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3,5-dichloro-benzamide CAS Name: 3,5-dichloro-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dichloro-benzamide Formula: C18H15Cl2N3O2S MolecularWeight: 408.3016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O2S/c1-2-7-21-17(25)14-5-3-4-6-15(14)22-18(26)23-16(24)11-8-12(19)10-13(20)9-11/h2-6,8-10H,1,7H2,(H,21,25)(H2,22,23,24,26)