methyl 2-[2-[(4-methylphenyl)carbonylcarbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(4-methylphenyl)carbonylcarbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-methylbenzoyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methylbenzoyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-(p-toluoylthiocarbamoylamino)acetyl]amino]hexanoic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-5-6-14(17(24)25-3)20-15(22)11-19-18(26)21-16(23)13-9-7-12(2)8-10-13/h7-10,14H,4-6,11H2,1-3H3,(H,20,22)(H2,19,21,23,26)