3-chloranyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)Cl

InChI

InChI=1S/C17H14ClN3OS/c1-11-2-5-13(10-15(11)18)16(22)21-17(23)20-14-6-3-12(4-7-14)8-9-19/h2-7,10H,8H2,1H3,(H2,20,21,22,23)