N-(2,6-dimethylphenyl)-4-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(6-ethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-(6-ethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[(6-ethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(6-ethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(6-ethyl-4-keto-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyramide Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCCCC(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCCCC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C28H31N3O2S2/c1-4-22-18-23-26(35-22)30-28(31(27(23)33)16-15-21-12-6-5-7-13-21)34-17-9-14-24(32)29-25-19(2)10-8-11-20(25)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,29,32)