ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C25H25N3O3S2/c1-3-31-24(30)18-9-13-19(14-10-18)26-23(29)16-33-22-6-4-5-21(15-22)28-25(32)27-20-11-7-17(2)8-12-20/h4-15H,3,16H2,1-2H3,(H,26,29)(H2,27,28,32)