7-tert-butyl-2-[2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-[[2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C29H29ClN2O2S2 MolecularWeight: 537.13576

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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=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C29H29ClN2O2S2/c1-29(2,3)20-11-14-22-24(15-20)36-26-25(22)27(34)32(16-18-7-5-4-6-8-18)28(31-26)35-17-23(33)19-9-12-21(30)13-10-19/h4-10,12-13,20H,11,14-17H2,1-3H3