3,5-bis(chloranyl)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3,5-dichloro-benzamide CAS Name: 3,5-dichloro-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3,5-dichlorobenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3,5-dichloro-benzamide Formula: C18H15Cl2N3OS MolecularWeight: 392.3022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3OS/c19-15-9-14(10-16(20)11-15)17(24)22-18(25)23(8-4-7-21)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,8,12H2,(H,22,24,25)