methyl 6-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(3-methylbenzofuran-2-carbonyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(3-methylbenzofuran-2-carbonyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-12-13-8-5-6-9-14(13)25-16(12)17(23)20-21-18(26)19-11-7-3-4-10-15(22)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,20,23)(H2,19,21,26)