butyl 4-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C28H29N3O4S2/c1-3-4-16-35-27(34)21-10-14-22(15-11-21)29-26(33)18-37-25-7-5-6-24(17-25)31-28(36)30-23-12-8-20(9-13-23)19(2)32/h5-15,17H,3-4,16,18H2,1-2H3,(H,29,33)(H2,30,31,36)