2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H24BrN3O2S/c1-13-4-6-16-17(10-23)21(28-19(16)8-13)24-20(26)12-25(2)11-14-9-15(22)5-7-18(14)27-3/h5,7,9,13H,4,6,8,11-12H2,1-3H3,(H,24,26)