N-(2-aminophenyl)-6-[1-[(3-bromanyl-4-methoxy-phenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[1-[(3-bromanyl-4-methoxy-phenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[1-[(3-bromo-4-methoxy-phenyl)methylamino]ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[1-[(3-bromo-4-methoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[1-[(3-bromo-4-methoxyphenyl)methylamino]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[1-[(3-bromo-4-methoxy-benzyl)amino]ethyl]benzothiophene-2-carboxamide Formula: C25H24BrN3O2S MolecularWeight: 510.44596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(S2)C(=O)NC3=CC=CC=C3N)NCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(S2)C(=O)NC3=CC=CC=C3N)NCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C25H24BrN3O2S/c1-15(28-14-16-7-10-22(31-2)19(26)11-16)17-8-9-18-13-24(32-23(18)12-17)25(30)29-21-6-4-3-5-20(21)27/h3-13,15,28H,14,27H2,1-2H3,(H,29,30)