methyl 6-[(4-tert-butylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-tert-butylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-tert-butylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-tert-butylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-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=C(C=C1)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-18(2,3)14-9-11-15(12-10-14)20-17(23)19-13-7-5-6-8-16(21)22-4/h9-12H,5-8,13H2,1-4H3,(H2,19,20,23)