methyl 6-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(4-methylphenoxy)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(4-methylphenoxy)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-16-7-11-18(12-8-16)26-19-13-9-17(10-14-19)23-21(27)22-15-5-3-4-6-20(24)25-2/h7-14H,3-6,15H2,1-2H3,(H2,22,23,27)