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

Systemtic Name: N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[1-[4-(2-methylpropanoyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[1-(4-isobutyrylpiperazine-1-carbonyl)-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O4S/c1-16(2)20(26)23-10-12-24(13-11-23)21(27)18(9-14-29-3)22-19(25)15-28-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,22,25)