N-[2-(cyclohexen-1-yl)ethyl]-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-homoveratryl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C30H33N3O4S2 MolecularWeight: 563.73072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCCC5=CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCCC5=CCCCC5)OC

InChI

InChI=1S/C30H33N3O4S2/c1-36-23-13-12-21(18-24(23)37-2)15-17-33-29(35)28-27(22-10-6-7-11-25(22)39-28)32-30(33)38-19-26(34)31-16-14-20-8-4-3-5-9-20/h6-8,10-13,18H,3-5,9,14-17,19H2,1-2H3,(H,31,34)