2-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(E)-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H23BrN2O3S MolecularWeight: 523.44142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)Br)OCC#C

InChI

InChI=1S/C26H23BrN2O3S/c1-3-13-32-24-20(27)14-17(15-21(24)31-2)16-28-26-23(19-11-7-8-12-22(19)33-26)25(30)29-18-9-5-4-6-10-18/h1,4-6,9-10,14-16H,7-8,11-13H2,2H3,(H,29,30)/b28-16+