butyl 4-[3-[3-[(4-butoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[3-[3-[(4-butoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxo-propyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[[3-[4-[butoxy(oxo)methyl]anilino]-3-oxopropyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[3-(4-butoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[3-(4-butoxycarbonylanilino)-3-keto-propyl]thio]propanoylamino]benzoic acid butyl ester Formula: C28H36N2O6S MolecularWeight: 528.66024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C28H36N2O6S/c1-3-5-17-35-27(33)21-7-11-23(12-8-21)29-25(31)15-19-37-20-16-26(32)30-24-13-9-22(10-14-24)28(34)36-18-6-4-2/h7-14H,3-6,15-20H2,1-2H3,(H,29,31)(H,30,32)