methyl 6-[(2-tert-butylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-tert-butylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-tert-butylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-tert-butylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-tert-butylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-tert-butylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H28N2O2S/c1-18(2,3)14-10-7-8-11-15(14)20-17(23)19-13-9-5-6-12-16(21)22-4/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H2,19,20,23)