6-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-7-pentoxy-3,4-dihydro-1H-isothiochromene-1-carboxamide

Systemtic Name: 6-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-7-pentoxy-3,4-dihydro-1H-isothiochromene-1-carboxamide Openeye Name: 6-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-7-pentoxy-isothiochromane-1-carboxamide CAS Name: 6-methoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-7-pentoxy-3,4-dihydro-1H-2-benzothiopyran-1-carboxamide IUPAC Name: 6-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-7-pentoxy-3,4-dihydro-1H-isothiochromene-1-carboxamide Traditional Name: 7-amoxy-6-methoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]isothiochroman-1-carboxamide Formula: C24H32N2O3S3 MolecularWeight: 492.71748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2CCSC(C2=C1)C(=O)NC3=C(N=C(C=C3SC)C)SC)OC

Isomeric SMILES

CCCCCOC1=C(C=C2CCSC(C2=C1)C(=O)NC3=C(N=C(C=C3SC)C)SC)OC

InChI

InChI=1S/C24H32N2O3S3/c1-6-7-8-10-29-19-14-17-16(13-18(19)28-3)9-11-32-22(17)23(27)26-21-20(30-4)12-15(2)25-24(21)31-5/h12-14,22H,6-11H2,1-5H3,(H,26,27)