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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S/c1-15-7-8-17(22(27)25-11-4-9-23-10-12-25)13-18(15)24-21(26)20-14-16-5-2-3-6-19(16)28-20/h2-3,5-8,13-14,23H,4,9-12H2,1H3,(H,24,26)