tert-butyl 4-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,4,5-trimethylphenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NCCCC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NCCCC(=O)OC(C)(C)C)C

InChI

InChI=1S/C18H28N2O2S/c1-12-10-14(3)15(11-13(12)2)20-17(23)19-9-7-8-16(21)22-18(4,5)6/h10-11H,7-9H2,1-6H3,(H2,19,20,23)