methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(4-bromo-3-methyl-phenyl)carbamothioylamino]acetyl]amino]acetate CAS Name: 2-[[2-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromo-3-methylphenyl)carbamothioylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]acetyl]amino]acetic acid methyl ester Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3S/c1-8-5-9(3-4-10(8)14)17-13(21)16-6-11(18)15-7-12(19)20-2/h3-5H,6-7H2,1-2H3,(H,15,18)(H2,16,17,21)