methyl 6-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C19H23N3O4S/c1-26-17(24)9-3-2-6-10-20-19(27)22-21-18(25)15-11-13-7-4-5-8-14(13)12-16(15)23/h4-5,7-8,11-12,23H,2-3,6,9-10H2,1H3,(H,21,25)(H2,20,22,27)