4-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 4-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(3-hydroxypropyl)-4-[[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]methyl]benzamide IUPAC Name: N-(3-hydroxypropyl)-4-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(3-hydroxypropyl)-4-[[(4-keto-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]methyl]benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCCO)SC4=C2CCCC4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NCCCO)SC4=C2CCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-25-21(28)18-16-5-2-3-6-17(16)30-20(18)24-22(25)29-13-14-7-9-15(10-8-14)19(27)23-11-4-12-26/h7-10,26H,2-6,11-13H2,1H3,(H,23,27)