6-methyl-N-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: 6-methyl-N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NCC3=CN=C(C=C3)N4CCCN(CC4)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NCC3=CN=C(C=C3)N4CCCN(CC4)C)C=C1

InChI

InChI=1S/C22H28N4OS/c1-16-4-6-18-13-20(28-19(18)12-16)22(27)24-15-17-5-7-21(23-14-17)26-9-3-8-25(2)10-11-26/h4-7,12,14,20H,3,8-11,13,15H2,1-2H3,(H,24,27)