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

Systemtic Name: N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-3-(methylthio)propyl]-2-furamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)CC(=O)NC2CC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)NC2CC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H28N4O4S/c1-28-12-6-15(21-18(25)16-3-2-11-27-16)19(26)23-9-7-22(8-10-23)13-17(24)20-14-4-5-14/h2-3,11,14-15H,4-10,12-13H2,1H3,(H,20,24)(H,21,25)/p+1/t15-/m0/s1