3-chloranyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-7-8-15(22(28)26-11-4-9-24-10-12-26)13-17(14)25-21(27)20-19(23)16-5-2-3-6-18(16)29-20/h2-3,5-8,13,24H,4,9-12H2,1H3,(H,25,27)