methyl 4-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]butanoate Openeye Name: methyl 4-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]butanoate CAS Name: 4-[[[3-(2,4-dimethylphenyl)propylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(2,4-dimethylphenyl)propylcarbamothioylamino]butanoate Traditional Name: 4-[3-(2,4-dimethylphenyl)propylthiocarbamoylamino]butyric acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-13-8-9-15(14(2)12-13)6-4-10-18-17(22)19-11-5-7-16(20)21-3/h8-9,12H,4-7,10-11H2,1-3H3,(H2,18,19,22)