7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-4-pentyl-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide

Systemtic Name: 7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-4-pentyl-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide Openeye Name: 7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-4-pentyl-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide CAS Name: 7,8-dimethoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-4-pentyl-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxamide IUPAC Name: 7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-4-pentyl-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide Traditional Name: 4-amyl-7,8-dimethoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxamide Formula: C26H36N2O3S3 MolecularWeight: 520.77064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC2=CC(=C(C=C2C(SC1)C(=O)NC3=C(N=C(C=C3SC)C)SC)OC)OC

Isomeric SMILES

CCCCCC1CC2=CC(=C(C=C2C(SC1)C(=O)NC3=C(N=C(C=C3SC)C)SC)OC)OC

InChI

InChI=1S/C26H36N2O3S3/c1-7-8-9-10-17-12-18-13-20(30-3)21(31-4)14-19(18)24(34-15-17)25(29)28-23-22(32-5)11-16(2)27-26(23)33-6/h11,13-14,17,24H,7-10,12,15H2,1-6H3,(H,28,29)