N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[1-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[1-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H30N4O3S/c1-33-16-11-23(27-24(30)19-32-22-5-3-2-4-6-22)25(31)29-14-12-28(13-15-29)18-21-9-7-20(17-26)8-10-21/h2-10,23H,11-16,18-19H2,1H3,(H,27,30)