2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazino]-N-[3-(methylthio)phenyl]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H29N3O3S/c1-3-18-7-8-23-22(13-18)19(14-25(30)31-23)16-27-9-11-28(12-10-27)17-24(29)26-20-5-4-6-21(15-20)32-2/h4-8,13-15H,3,9-12,16-17H2,1-2H3,(H,26,29)