(4-bromanyl-3-methyl-phenyl)-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone Openeye Name: [6-benzyloxy-2-(dimethylamino)benzothiophen-3-yl]-(4-bromo-3-methyl-phenyl)methanone CAS Name: (4-bromo-3-methylphenyl)-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone IUPAC Name: (4-bromo-3-methylphenyl)-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone Traditional Name: [6-benzoxy-2-(dimethylamino)benzothiophen-3-yl]-(4-bromo-3-methyl-phenyl)methanone Formula: C25H22BrNO2S MolecularWeight: 480.41668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)N(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)N(C)C)Br

InChI

InChI=1S/C25H22BrNO2S/c1-16-13-18(9-12-21(16)26)24(28)23-20-11-10-19(14-22(20)30-25(23)27(2)3)29-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3