1-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-3-(methylthio)-1-(4-p-anisylpiperazin-4-ium-1-carbonyl)propyl]urea Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H28N4O3S/c1-25-15-5-3-14(4-6-15)13-21-8-10-22(11-9-21)17(23)16(7-12-26-2)20-18(19)24/h3-6,16H,7-13H2,1-2H3,(H3,19,20,24)/p+1/t16-/m0/s1