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

Systemtic Name: methyl 2-[4-[(3-methylbutanoylamino)carbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(3-methylbutanoylamino)carbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[(3-methyl-1-oxobutyl)hydrazo]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methylbutanoylamino)carbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[(isovalerylamino)thiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)CC(=O)OC

Isomeric SMILES

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)CC(=O)OC

InChI

InChI=1S/C15H21N3O3S/c1-10(2)8-13(19)17-18-15(22)16-12-6-4-11(5-7-12)9-14(20)21-3/h4-7,10H,8-9H2,1-3H3,(H,17,19)(H2,16,18,22)