2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C32H31N3O2S2 MolecularWeight: 553.73744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6

InChI

InChI=1S/C32H31N3O2S2/c1-21-19-26(22(2)34(21)18-17-23-11-5-3-6-12-23)27(36)20-38-32-33-30-29(25-15-9-10-16-28(25)39-30)31(37)35(32)24-13-7-4-8-14-24/h3-8,11-14,19H,9-10,15-18,20H2,1-2H3