methyl 2-[2-[(3,4-dimethylphenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(3,4-dimethylphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(3,4-dimethylphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3,4-dimethylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(3,4-dimethylphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C18H27N3O3S/c1-5-6-7-15(17(23)24-4)21-16(22)11-19-18(25)20-14-9-8-12(2)13(3)10-14/h8-10,15H,5-7,11H2,1-4H3,(H,21,22)(H2,19,20,25)