6-cyclohexyl-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 6-cyclohexyl-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-cyclohexyl-5-phenacylsulfanyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-cyclohexyl-5-(phenacylthio)-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-cyclohexyl-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-cyclohexyl-5-(phenacylthio)-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H27N3O2S3 MolecularWeight: 521.71718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=S)S3)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=S)S3)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S3/c31-22(20-12-6-2-7-13-20)18-34-26-28-24-23(25(32)30(26)21-14-8-3-9-15-21)35-27(33)29(24)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21H,3,8-9,14-18H2