methyl 6-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(3-methylphenoxy)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(3-methylphenoxy)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-7-6-8-19(15-16)26-18-12-10-17(11-13-18)23-21(27)22-14-5-3-4-9-20(24)25-2/h6-8,10-13,15H,3-5,9,14H2,1-2H3,(H2,22,23,27)