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

Systemtic Name: methyl 6-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-methoxydibenzofuran-3-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-25-19-12-15-14-8-5-6-9-17(14)27-18(15)13-16(19)23-21(28)22-11-7-3-4-10-20(24)26-2/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H2,22,23,28)