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

Systemtic Name: butyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C33H33N3O4S2 MolecularWeight: 599.76282

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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=C4OC

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=C4OC

InChI

InChI=1S/C33H33N3O4S2/c1-3-4-21-40-32(38)24-17-19-25(20-18-24)34-31(37)30(23-11-6-5-7-12-23)42-27-14-10-13-26(22-27)35-33(41)36-28-15-8-9-16-29(28)39-2/h5-20,22,30H,3-4,21H2,1-2H3,(H,34,37)(H2,35,36,41)