butyl 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C33H33N3O3S2 MolecularWeight: 583.76342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

InChI

InChI=1S/C33H33N3O3S2/c1-3-4-21-39-32(38)25-15-19-26(20-16-25)34-31(37)30(24-9-6-5-7-10-24)41-29-12-8-11-28(22-29)36-33(40)35-27-17-13-23(2)14-18-27/h5-20,22,30H,3-4,21H2,1-2H3,(H,34,37)(H2,35,36,40)