N-[2-(1-methylpyrrol-2-yl)-2-morpholin-4-yl-ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-[2-(1-methylpyrrol-2-yl)-2-morpholin-4-yl-ethyl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-[2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]acetamide CAS Name: N-[2-(1-methyl-2-pyrrolyl)-2-(4-morpholinyl)ethyl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-[2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NCC(C2=CC=CN2C)N3CCOCC3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NCC(C2=CC=CN2C)N3CCOCC3

InChI

InChI=1S/C22H31N3O2S/c1-17(2)28-19-8-6-18(7-9-19)15-22(26)23-16-21(20-5-4-10-24(20)3)25-11-13-27-14-12-25/h4-10,17,21H,11-16H2,1-3H3,(H,23,26)