methyl 6-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)CN1CCCC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)CN1CCCC2=CC=CC=C21

InChI

InChI=1S/C19H28N4O3S/c1-26-18(25)11-3-2-6-12-20-19(27)22-21-17(24)14-23-13-7-9-15-8-4-5-10-16(15)23/h4-5,8,10H,2-3,6-7,9,11-14H2,1H3,(H,21,24)(H2,20,22,27)