2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21N5OS/c1-15-12-17(16(2)27(15)18-8-4-3-5-9-18)13-23-26-21(28)14-29-22-24-19-10-6-7-11-20(19)25-22/h3-13H,14H2,1-2H3,(H,24,25)(H,26,28)/b23-13+