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

Systemtic Name: 2-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-chloro-4-(4-methylpiperazino)phenyl]carbamoylamino]-4-(methylthio)butyric acid Formula: C17H25ClN4O3S MolecularWeight: 400.9234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CCSC)C(=O)O)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CCSC)C(=O)O)Cl

InChI

InChI=1S/C17H25ClN4O3S/c1-21-6-8-22(9-7-21)15-4-3-12(11-13(15)18)19-17(25)20-14(16(23)24)5-10-26-2/h3-4,11,14H,5-10H2,1-2H3,(H,23,24)(H2,19,20,25)