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

Systemtic Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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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=CC=C3OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C28H31N3O4S2/c1-4-5-17-35-27(33)20-13-15-21(16-14-20)29-26(32)19(2)37-23-10-8-9-22(18-23)30-28(36)31-24-11-6-7-12-25(24)34-3/h6-16,18-19H,4-5,17H2,1-3H3,(H,29,32)(H2,30,31,36)