2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=CC=C(C=C3)Br)C(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=CC=C(C=C3)Br)C(=O)N4CCOCC4

InChI

InChI=1S/C21H23BrN2O3S2/c22-14-5-7-15(8-6-14)28-13-18(25)23-20-19(16-3-1-2-4-17(16)29-20)21(26)24-9-11-27-12-10-24/h5-8H,1-4,9-13H2,(H,23,25)