methyl 6-[[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[5-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[5-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H31ClN4O2S MolecularWeight: 427.00374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H31ClN4O2S/c1-3-24-11-13-25(14-12-24)18-9-8-16(21)15-17(18)23-20(28)22-10-6-4-5-7-19(26)27-2/h8-9,15H,3-7,10-14H2,1-2H3,(H2,22,23,28)