3-(4-butylsulfanylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one

Systemtic Name: 3-(4-butylsulfanylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Openeye Name: 3-(4-butylsulfanylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-2-one CAS Name: 3-[4-(butylthio)phenyl]imino-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-indolone IUPAC Name: 3-(4-butylsulfanylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Traditional Name: 3-[4-(butylthio)phenyl]imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]oxindole Formula: C29H33N4OS+ MolecularWeight: 485.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4OS/c1-2-3-21-35-25-15-13-23(14-16-25)30-28-26-11-7-8-12-27(26)33(29(28)34)22-31-17-19-32(20-18-31)24-9-5-4-6-10-24/h4-16H,2-3,17-22H2,1H3/p+1