methyl 6-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-bromo-2-methyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-bromo-2-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-2-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-bromo-2-methyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21BrN2O2S MolecularWeight: 373.30844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H21BrN2O2S/c1-11-10-12(16)7-8-13(11)18-15(21)17-9-5-3-4-6-14(19)20-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,21)