N-(4-dimethylaminophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[(4-keto-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)N(C)C)SC5=C3CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)N(C)C)SC5=C3CCCC5

InChI

InChI=1S/C28H30N4O3S2/c1-4-35-21-15-13-20(14-16-21)32-27(34)25-22-7-5-6-8-23(22)37-26(25)30-28(32)36-17-24(33)29-18-9-11-19(12-10-18)31(2)3/h9-16H,4-8,17H2,1-3H3,(H,29,33)