methyl 6-[[4-[(2R)-butan-2-yl]phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-[(2R)-butan-2-yl]phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-[(1R)-1-methylpropyl]phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-[(2R)-butan-2-yl]anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(2R)-butan-2-yl]phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-[(1R)-1-methylpropyl]phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H28N2O2S/c1-4-14(2)15-9-11-16(12-10-15)20-18(23)19-13-7-5-6-8-17(21)22-3/h9-12,14H,4-8,13H2,1-3H3,(H2,19,20,23)/t14-/m1/s1