N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C24H21BrN4O2S MolecularWeight: 509.41814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)C)Br

InChI

InChI=1S/C24H21BrN4O2S/c1-3-31-21-11-10-16(12-17(21)25)23(30)29-24(32)28-20-13-15(9-8-14(20)2)22-26-18-6-4-5-7-19(18)27-22/h4-13H,3H2,1-2H3,(H,26,27)(H2,28,29,30,32)