2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-methyl-pyrrol-2-yl]-N-(2-morpholinoethyl)-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-N-[2-(4-morpholinyl)ethyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-methylpyrrol-2-yl]-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-methyl-pyrrol-2-yl]-N-(2-morpholinoethyl)-3H-benzimidazole-5-carboxamide Formula: C28H27ClN6O3S MolecularWeight: 563.07038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)C(=O)NCCN4CCOCC4)NC(=O)C5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C28H27ClN6O3S/c1-34-16-18(31-28(37)25-24(29)19-4-2-3-5-23(19)39-25)15-22(34)26-32-20-7-6-17(14-21(20)33-26)27(36)30-8-9-35-10-12-38-13-11-35/h2-7,14-16H,8-13H2,1H3,(H,30,36)(H,31,37)(H,32,33)