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

Systemtic Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-6-tert-butyl-2-[(E)-piperonylideneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H27BrN2O3S MolecularWeight: 539.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27BrN2O3S/c1-27(2,3)17-5-10-20-23(13-17)34-26(24(20)25(31)30-19-8-6-18(28)7-9-19)29-14-16-4-11-21-22(12-16)33-15-32-21/h4,6-9,11-12,14,17H,5,10,13,15H2,1-3H3,(H,30,31)/b29-14+