N-butanoyl-2-[4-[[[4-cyano-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]amino]methyl]phenyl]benzonitrilium

Systemtic Name: N-butanoyl-2-[4-[[[4-cyano-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]amino]methyl]phenyl]benzonitrilium Openeye Name: N-butanoyl-2-[4-[[[2-(tert-butoxycarbonylamino)-4-cyano-5-methyl-3-thienyl]amino]methyl]phenyl]benzonitrilium CAS Name: 2-[4-[[[4-cyano-5-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-thiophenyl]amino]methyl]phenyl]-N-(1-oxobutyl)benzonitrilium IUPAC Name: N-butanoyl-2-[4-[[[4-cyano-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]amino]methyl]phenyl]benzonitrilium Traditional Name: 2-[4-[[[2-(tert-butoxycarbonylamino)-4-cyano-5-methyl-3-thienyl]amino]methyl]phenyl]-N-butyryl-benzonitrilium Formula: C29H31N4O3S+ MolecularWeight: 515.64644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(SC(=C3C#N)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(SC(=C3C#N)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H30N4O3S/c1-6-9-25(34)31-18-22-10-7-8-11-23(22)21-14-12-20(13-15-21)17-32-26-24(16-30)19(2)37-27(26)33-28(35)36-29(3,4)5/h7-8,10-15,32H,6,9,17H2,1-5H3/p+1