N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide Traditional Name: 2-[(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S2/c1-12-2-4-14-17(6-12)29-21-19(14)20(23-10-24-21)28-9-18(25)22-8-13-3-5-15-16(7-13)27-11-26-15/h3,5,7,10,12H,2,4,6,8-9,11H2,1H3,(H,22,25)