N-[2,2-bis(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]-4-methyl-benzamide

Systemtic Name: N-[2,2-bis(chloranyl)-1-(naphthalen-1-ylcarbamothioylamino)ethyl]-4-methyl-benzamide Openeye Name: N-[2,2-dichloro-1-(1-naphthylcarbamothioylamino)ethyl]-4-methyl-benzamide CAS Name: N-[2,2-dichloro-1-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]-4-methylbenzamide IUPAC Name: N-[2,2-dichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]-4-methylbenzamide Traditional Name: N-[2,2-dichloro-1-(1-naphthylthiocarbamoylamino)ethyl]-4-methyl-benzamide Formula: C21H19Cl2N3OS MolecularWeight: 432.36606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H19Cl2N3OS/c1-13-9-11-15(12-10-13)20(27)25-19(18(22)23)26-21(28)24-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3,(H,25,27)(H2,24,26,28)