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

Systemtic Name: butyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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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

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

InChI

InChI=1S/C28H31N3O3S2/c1-4-5-17-34-27(33)21-11-15-22(16-12-21)29-26(32)20(3)36-25-8-6-7-24(18-25)31-28(35)30-23-13-9-19(2)10-14-23/h6-16,18,20H,4-5,17H2,1-3H3,(H,29,32)(H2,30,31,35)