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

Systemtic Name: 4-butyl-7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide Openeye Name: 4-butyl-7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide CAS Name: 4-butyl-7,8-dimethoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxamide IUPAC Name: 4-butyl-7,8-dimethoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide Traditional Name: 4-butyl-7,8-dimethoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxamide Formula: C25H34N2O3S3 MolecularWeight: 506.74406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=CC(=C(C=C2C(SC1)C(=O)NC3=C(N=C(C=C3SC)C)SC)OC)OC

Isomeric SMILES

CCCCC1CC2=CC(=C(C=C2C(SC1)C(=O)NC3=C(N=C(C=C3SC)C)SC)OC)OC

InChI

InChI=1S/C25H34N2O3S3/c1-7-8-9-16-11-17-12-19(29-3)20(30-4)13-18(17)23(33-14-16)24(28)27-22-21(31-5)10-15(2)26-25(22)32-6/h10,12-13,16,23H,7-9,11,14H2,1-6H3,(H,27,28)