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

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]-2-furamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O3S/c1-28-15-9-18(22-20(25)19-8-5-14-27-19)21(26)24-12-10-23(11-13-24)16-17-6-3-2-4-7-17/h2-8,14,18H,9-13,15-16H2,1H3,(H,22,25)/p+1/t18-/m0/s1