propan-2-yl 2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(4-bromo-3-methyl-phenyl)carbamothioylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-bromo-3-methylphenyl)carbamothioylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]-4-(methylthio)butyric acid isopropyl ester Formula: C16H23BrN2O2S2 MolecularWeight: 419.40002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O2S2/c1-10(2)21-15(20)14(7-8-23-4)19-16(22)18-12-5-6-13(17)11(3)9-12/h5-6,9-10,14H,7-8H2,1-4H3,(H2,18,19,22)