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

Systemtic Name: methyl 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-24-16(23)9-4-10-18-17(25)20-19-15(22)12-21-11-5-7-13-6-2-3-8-14(13)21/h2-3,6,8H,4-5,7,9-12H2,1H3,(H,19,22)(H2,18,20,25)