methyl 4-[[2-(4-tert-butylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-tert-butylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-tert-butylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-18(2,3)13-7-9-14(10-8-13)25-12-15(22)20-21-17(26)19-11-5-6-16(23)24-4/h7-10H,5-6,11-12H2,1-4H3,(H,20,22)(H2,19,21,26)