(E)-3-(4-azanyl-3-bromanyl-thieno[3,2-c]pyridin-7-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-3-(4-azanyl-3-bromanyl-thieno[3,2-c]pyridin-7-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-(4-amino-3-bromo-thieno[3,2-c]pyridin-7-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-(4-amino-3-bromo-7-thieno[3,2-c]pyridinyl)-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-(4-amino-3-bromothieno[3,2-c]pyridin-7-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-(4-amino-3-bromo-thieno[3,2-c]pyridin-7-yl)-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C16H16BrN5OS MolecularWeight: 406.30014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)C=CC2=CN=C(C3=C2SC=C3Br)N

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)/C=C/C2=CN=C(C3=C2SC=C3Br)N

InChI

InChI=1S/C16H16BrN5OS/c17-12-9-24-15-11(8-21-16(18)14(12)15)2-3-13(23)20-4-1-6-22-7-5-19-10-22/h2-3,5,7-10H,1,4,6H2,(H2,18,21)(H,20,23)/b3-2+