methyl 6-[(2-methyl-1,3-benzoxazol-5-yl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-methyl-1,3-benzoxazol-5-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-methyl-1,3-benzoxazol-5-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(2-methyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methyl-1,3-benzoxazol-5-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-methyl-1,3-benzoxazol-5-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H21N3O3S/c1-11-18-13-10-12(7-8-14(13)22-11)19-16(23)17-9-5-3-4-6-15(20)21-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,19,23)