ethyl 4-[[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(o-tolylmethylsulfanyl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-[(2-methylbenzyl)thio]acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2C

InChI

InChI=1S/C20H23N3O3S2/c1-3-26-19(25)15-8-10-17(11-9-15)21-20(27)23-22-18(24)13-28-12-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H,22,24)(H2,21,23,27)