(2R)-2-[[4-oxidanylidene-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide

Systemtic Name: (2R)-2-[[4-oxidanylidene-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-2-[[4-oxo-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]propanamide IUPAC Name: (2R)-2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(3-benzyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N)SC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c1-12(17(21)24)26-20-22-18-16(14-9-5-6-10-15(14)27-18)19(25)23(20)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,21,24)/t12-/m1/s1