1-[3-azanyl-2-(3-bromophenyl)carbonyl-4,6-dimethyl-4-phenyl-7H-thieno[2,3-b]pyridin-5-yl]propan-1-one

Systemtic Name: 1-[3-azanyl-2-(3-bromophenyl)carbonyl-4,6-dimethyl-4-phenyl-7H-thieno[2,3-b]pyridin-5-yl]propan-1-one Openeye Name: 1-[3-amino-2-(3-bromobenzoyl)-4,6-dimethyl-4-phenyl-7H-thieno[2,3-b]pyridin-5-yl]propan-1-one CAS Name: 1-[3-amino-2-[(3-bromophenyl)-oxomethyl]-4,6-dimethyl-4-phenyl-7H-thieno[2,3-b]pyridin-5-yl]-1-propanone IUPAC Name: 1-[3-amino-2-(3-bromobenzoyl)-4,6-dimethyl-4-phenyl-7H-thieno[2,3-b]pyridin-5-yl]propan-1-one Traditional Name: 1-[3-amino-2-(3-bromobenzoyl)-4,6-dimethyl-4-phenyl-7H-thieno[2,3-b]pyridin-5-yl]propan-1-one Formula: C25H23BrN2O2S MolecularWeight: 495.43132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(NC2=C(C1(C)C3=CC=CC=C3)C(=C(S2)C(=O)C4=CC(=CC=C4)Br)N)C

Isomeric SMILES

CCC(=O)C1=C(NC2=C(C1(C)C3=CC=CC=C3)C(=C(S2)C(=O)C4=CC(=CC=C4)Br)N)C

InChI

InChI=1S/C25H23BrN2O2S/c1-4-18(29)19-14(2)28-24-20(25(19,3)16-10-6-5-7-11-16)21(27)23(31-24)22(30)15-9-8-12-17(26)13-15/h5-13,28H,4,27H2,1-3H3