N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-3-(methylthio)propyl]coumarilamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H29N3O3S/c1-32-16-11-21(26-24(29)23-17-20-9-5-6-10-22(20)31-23)25(30)28-14-12-27(13-15-28)18-19-7-3-2-4-8-19/h2-10,17,21H,11-16,18H2,1H3,(H,26,29)/t21-/m0/s1