methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(4-methylpiperazino)phenyl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CCSC)C(=O)OC

InChI

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