methyl 4-[[2-(3,4-dimethylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(3,4-dimethylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NNC(=S)NCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NNC(=S)NCCCC(=O)OC)C

InChI

InChI=1S/C16H23N3O4S/c1-11-6-7-13(9-12(11)2)23-10-14(20)18-19-16(24)17-8-4-5-15(21)22-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,20)(H2,17,19,24)