methyl 6-[[4-(1-benzofuran-2-yl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(1-benzofuran-2-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(benzofuran-2-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(2-benzofuranyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(1-benzofuran-2-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(benzofuran-2-yl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O3S/c1-26-21(25)9-3-2-6-14-23-22(28)24-18-12-10-16(11-13-18)20-15-17-7-4-5-8-19(17)27-20/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H2,23,24,28)