2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(4-ethylpiperazino)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C18H28N4O3S/c1-3-21-9-11-22(12-10-21)15-6-4-14(5-7-15)19-18(25)20-16(17(23)24)8-13-26-2/h4-7,16H,3,8-13H2,1-2H3,(H,23,24)(H2,19,20,25)