N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide

Systemtic Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C22H17ClN4OS MolecularWeight: 420.91458

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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)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C22H17ClN4OS/c1-13-6-7-15(12-17(13)23)21(28)27-22(29)24-16-10-8-14(9-11-16)20-25-18-4-2-3-5-19(18)26-20/h2-12H,1H3,(H,25,26)(H2,24,27,28,29)