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

Systemtic Name: butyl 4-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C29H31N3O4S2/c1-4-5-17-36-28(35)22-11-15-23(16-12-22)30-27(34)20(3)38-26-8-6-7-25(18-26)32-29(37)31-24-13-9-21(10-14-24)19(2)33/h6-16,18,20H,4-5,17H2,1-3H3,(H,30,34)(H2,31,32,37)