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

Systemtic Name: 2-[(E)-(3-bromanyl-4-but-3-ynoxy-5-methoxy-phenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-(3-bromo-4-but-3-ynoxy-5-methoxy-phenyl)methyleneamino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-(3-bromo-4-but-3-ynoxy-5-methoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-(3-bromo-4-but-3-ynoxy-5-methoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(E)-(3-bromo-4-but-3-ynoxy-5-methoxy-benzylidene)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H25BrN2O3S MolecularWeight: 537.468

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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)OCCC#C

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrN2O3S/c1-3-4-14-33-25-21(28)15-18(16-22(25)32-2)17-29-27-24(20-12-8-9-13-23(20)34-27)26(31)30-19-10-6-5-7-11-19/h1,5-7,10-11,15-17H,4,8-9,12-14H2,2H3,(H,30,31)/b29-17+