7-tert-butyl-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-tert-butyl-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-7-tert-butyl-2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-benzyl-7-tert-butyl-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-7-tert-butyl-2-[[2-keto-2-(2-naphthyl)ethyl]thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C33H32N2O2S2 MolecularWeight: 552.74938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6

InChI

InChI=1S/C33H32N2O2S2/c1-33(2,3)25-15-16-26-28(18-25)39-30-29(26)31(37)35(19-21-9-5-4-6-10-21)32(34-30)38-20-27(36)24-14-13-22-11-7-8-12-23(22)17-24/h4-14,17,25H,15-16,18-20H2,1-3H3