2-[[3-(4-bromophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(4-ethoxy-3-methoxy-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[3-(4-bromophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(4-ethoxy-3-methoxy-phenyl)methylideneamino]ethanamide Openeye Name: 2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-[(4-ethoxy-3-methoxy-benzylidene)amino]acetamide Formula: C28H27BrN4O4S2 MolecularWeight: 627.57238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)OC

InChI

InChI=1S/C28H27BrN4O4S2/c1-3-37-21-13-8-17(14-22(21)36-2)15-30-32-24(34)16-38-28-31-26-25(20-6-4-5-7-23(20)39-26)27(35)33(28)19-11-9-18(29)10-12-19/h8-15H,3-7,16H2,1-2H3,(H,32,34)