methyl 6-[[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H24N4O3S2/c1-13-16(28-18(21-13)14-9-5-3-6-10-14)17(25)22-23-19(27)20-12-8-4-7-11-15(24)26-2/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,22,25)(H2,20,23,27)