methyl 4-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(3-methylphenoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylphenoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(3-methylphenoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-14-5-3-6-17(13-14)24-16-10-8-15(9-11-16)21-19(25)20-12-4-7-18(22)23-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H2,20,21,25)