methyl 4-[[(2-methoxy-5-methyl-phenyl)methyl-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(2-methoxy-5-methyl-phenyl)methyl-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(2-methoxy-5-methyl-phenyl)methyl-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(2-methoxy-5-methylphenyl)methyl-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-methoxy-5-methylphenyl)methyl-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[(2-methoxy-5-methyl-benzyl)-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H24N2O3S/c1-12-7-8-14(20-3)13(10-12)11-18(2)16(22)17-9-5-6-15(19)21-4/h7-8,10H,5-6,9,11H2,1-4H3,(H,17,22)