N-[4-methyl-1-[(6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-methyl-1-[(6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-methyl-1-[[6-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[4-methyl-1-[[6-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-methyl-1-[(6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[3-keto-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C27H32N4O5S2 MolecularWeight: 556.69678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C27H32N4O5S2/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)