N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4S/c24-18-9-15(14-4-2-1-3-5-14)22-20(23-18)28-11-19(25)21-10-13-6-7-16-17(8-13)27-12-26-16/h1-9H,10-12H2,(H,21,25)(H,22,23,24)