methyl 6-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(4-methylpiperazino)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H30N4O2S/c1-22-12-14-23(15-13-22)17-9-7-16(8-10-17)21-19(26)20-11-5-3-4-6-18(24)25-2/h7-10H,3-6,11-15H2,1-2H3,(H2,20,21,26)