methyl 4-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(4-methylphenoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylphenoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(4-methylphenoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)21-19(25)20-13-3-4-18(22)23-2/h5-12H,3-4,13H2,1-2H3,(H2,20,21,25)