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

Systemtic Name: ethyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H29N3O4S2 MolecularWeight: 571.70966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C31H29N3O4S2/c1-3-38-30(36)22-16-18-23(19-17-22)32-29(35)28(21-10-5-4-6-11-21)40-25-13-9-12-24(20-25)33-31(39)34-26-14-7-8-15-27(26)37-2/h4-20,28H,3H2,1-2H3,(H,32,35)(H2,33,34,39)