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

Systemtic Name: ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C26H27N3O3S2/c1-4-32-25(31)19-10-14-20(15-11-19)27-24(30)18(3)34-23-7-5-6-22(16-23)29-26(33)28-21-12-8-17(2)9-13-21/h5-16,18H,4H2,1-3H3,(H,27,30)(H2,28,29,33)