2-[2-oxidanylidene-2-[4-(phenylmethyl)phenyl]ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)phenyl]ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-benzylphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)phenyl]ethyl]thio]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-benzylphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-benzylphenyl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)SC5=C2CCCC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)SC5=C2CCCC5

InChI

InChI=1S/C28H26N2O2S2/c1-2-16-30-27(32)25-22-10-6-7-11-24(22)34-26(25)29-28(30)33-18-23(31)21-14-12-20(13-15-21)17-19-8-4-3-5-9-19/h2-5,8-9,12-15H,1,6-7,10-11,16-18H2