N-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-24-7-2-8-25(10-9-24)20-6-3-15(13-22-20)14-23-21(27)19-12-16-11-17(26(28)29)4-5-18(16)30-19/h3-6,11-13H,2,7-10,14H2,1H3,(H,23,27)