2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(E)-piperonylideneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)/N=C/C3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C24H22N2O3S/c27-23(25-13-16-6-2-1-3-7-16)22-18-8-4-5-9-21(18)30-24(22)26-14-17-10-11-19-20(12-17)29-15-28-19/h1-3,6-7,10-12,14H,4-5,8-9,13,15H2,(H,25,27)/b26-14+