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

Systemtic Name: methyl 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H25N3O4S2/c1-16(30)18-11-13-19(14-12-18)27-26(34)28-20-7-6-8-21(15-20)35-17(2)24(31)29-23-10-5-4-9-22(23)25(32)33-3/h4-15,17H,1-3H3,(H,29,31)(H2,27,28,34)