methyl 2-[2-[(4-tert-butylphenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(4-tert-butylphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-tert-butylphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-tert-butylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(4-tert-butylphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C20H31N3O3S/c1-6-7-8-16(18(25)26-5)23-17(24)13-21-19(27)22-15-11-9-14(10-12-15)20(2,3)4/h9-12,16H,6-8,13H2,1-5H3,(H,23,24)(H2,21,22,27)