ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H25N3O4S2/c1-3-32-24(30)17-11-13-18(14-12-17)26-23(29)16-34-20-8-6-7-19(15-20)27-25(33)28-21-9-4-5-10-22(21)31-2/h4-15H,3,16H2,1-2H3,(H,26,29)(H2,27,28,33)