2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C18H27ClN4O3S MolecularWeight: 414.94998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O3S/c1-3-22-7-9-23(10-8-22)16-5-4-13(12-14(16)19)20-18(26)21-15(17(24)25)6-11-27-2/h4-5,12,15H,3,6-11H2,1-2H3,(H,24,25)(H2,20,21,26)