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

Systemtic Name: 4-butyl-7-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-8-pentoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide Openeye Name: 4-butyl-7-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-8-pentoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide CAS Name: 4-butyl-7-methoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-8-pentoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxamide IUPAC Name: 4-butyl-7-methoxy-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-8-pentoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxamide Traditional Name: 8-amoxy-4-butyl-7-methoxy-N-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxamide Formula: C29H42N2O3S3 MolecularWeight: 562.85038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2CC(CSC(C2=C1)C(=O)NC3=C(N=C(C=C3SC)C)SC)CCCC)OC

Isomeric SMILES

CCCCCOC1=C(C=C2CC(CSC(C2=C1)C(=O)NC3=C(N=C(C=C3SC)C)SC)CCCC)OC

InChI

InChI=1S/C29H42N2O3S3/c1-7-9-11-13-34-24-17-22-21(16-23(24)33-4)15-20(12-10-8-2)18-37-27(22)28(32)31-26-25(35-5)14-19(3)30-29(26)36-6/h14,16-17,20,27H,7-13,15,18H2,1-6H3,(H,31,32)