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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)C

InChI

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