N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-hexahydropyrimidin-1-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(2-keto-3-piperonyl-hexahydropyrimidin-1-yl)phenyl]thiophene-2-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O4S/c27-22(21-3-1-12-31-21)24-17-5-7-18(8-6-17)26-11-2-10-25(23(26)28)14-16-4-9-19-20(13-16)30-15-29-19/h1,3-9,12-13H,2,10-11,14-15H2,(H,24,27)