2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H25BrN2O4S/c1-11-4-6-13-17(8-11)29-21(19(13)20(23)26)24-18(25)7-5-12-9-15(27-2)16(28-3)10-14(12)22/h9-11H,4-8H2,1-3H3,(H2,23,26)(H,24,25)