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

Systemtic Name: butyl 4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C32H31N3O3S2 MolecularWeight: 569.73684

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C32H31N3O3S2/c1-2-3-21-38-31(37)24-17-19-26(20-18-24)33-30(36)29(23-11-6-4-7-12-23)40-28-16-10-15-27(22-28)35-32(39)34-25-13-8-5-9-14-25/h4-20,22,29H,2-3,21H2,1H3,(H,33,36)(H2,34,35,39)