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

Systemtic Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(3-homoveratryl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-N-p-cumenyl-acetamide Formula: C31H31N3O4S2 MolecularWeight: 573.72554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC(=C(C=C4)OC)OC)SC5=CC=CC=C53

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC(=C(C=C4)OC)OC)SC5=CC=CC=C53

InChI

InChI=1S/C31H31N3O4S2/c1-19(2)21-10-12-22(13-11-21)32-27(35)18-39-31-33-28-23-7-5-6-8-26(23)40-29(28)30(36)34(31)16-15-20-9-14-24(37-3)25(17-20)38-4/h5-14,17,19H,15-16,18H2,1-4H3,(H,32,35)