N-[3-[(4-methylsulfanylphenyl)-morpholin-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(4-methylsulfanylphenyl)-morpholin-4-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-methylsulfanylphenyl)-morpholino-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[[4-(methylthio)phenyl]-(4-morpholinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[[4-(methylthio)phenyl]-morpholino-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=C(C=C3)SC)N4CCOCC4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=C(C=C3)SC)N4CCOCC4

InChI

InChI=1S/C22H28N2O2S2/c1-15(25)23-22-20(18-5-3-4-6-19(18)28-22)21(24-11-13-26-14-12-24)16-7-9-17(27-2)10-8-16/h7-10,21H,3-6,11-14H2,1-2H3,(H,23,25)