2-(1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[1-(morpholine-4-carbonyl)propylsulfanyl]-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[[1-(4-morpholinyl)-1-oxobutan-2-yl]thio]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[1-(morpholine-4-carbonyl)propylthio]-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53

InChI

InChI=1S/C26H27N3O3S2/c1-2-20(24(30)28-14-16-32-17-15-28)34-26-27-22-19-10-6-7-11-21(19)33-23(22)25(31)29(26)13-12-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3