dibutyl-ethanoyl-[[3-(2-methylphenyl)-4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl]methylamino]azanium

Systemtic Name: dibutyl-ethanoyl-[[3-(2-methylphenyl)-4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl]methylamino]azanium Openeye Name: acetyl-dibutyl-[[4-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]-3-(o-tolyl)phenyl]methylamino]ammonium CAS Name: acetyl-dibutyl-[[4-[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-(2-methylphenyl)phenyl]methylamino]ammonium IUPAC Name: acetyl-dibutyl-[[4-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methylamino]azanium Traditional Name: acetyl-dibutyl-[[4-[[1-carboxy-3-(methylthio)propyl]carbamoyl]-3-(o-tolyl)benzyl]amino]ammonium Formula: C30H44N3O4S+ MolecularWeight: 542.75306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(C(=O)C)NCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCC[N+](CCCC)(C(=O)C)NCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C30H43N3O4S/c1-6-8-17-33(23(4)34,18-9-7-2)31-21-24-14-15-26(27(20-24)25-13-11-10-12-22(25)3)29(35)32-28(30(36)37)16-19-38-5/h10-15,20,28,31H,6-9,16-19,21H2,1-5H3,(H-,32,35,36,37)/p+1