N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H17N3O3S2/c1-10-11(2)26-18-16(10)17(20-8-21-18)25-7-15(22)19-6-12-3-4-13-14(5-12)24-9-23-13/h3-5,8H,6-7,9H2,1-2H3,(H,19,22)