methyl 2-[4-[(4-methylpiperazin-1-yl)carbamothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-methylpiperazin-1-yl)carbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-methylpiperazin-1-yl)carbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methylpiperazin-1-yl)carbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[(4-methylpiperazino)thiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C15H22N4O2S MolecularWeight: 322.42578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C15H22N4O2S/c1-18-7-9-19(10-8-18)17-15(22)16-13-5-3-12(4-6-13)11-14(20)21-2/h3-6H,7-11H2,1-2H3,(H2,16,17,22)