3-(4-butylsulfanylphenyl)imino-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indol-2-one

Systemtic Name: 3-(4-butylsulfanylphenyl)imino-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indol-2-one Openeye Name: 3-(4-butylsulfanylphenyl)imino-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indolin-2-one CAS Name: 3-[4-(butylthio)phenyl]imino-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-indolone IUPAC Name: 3-(4-butylsulfanylphenyl)imino-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)indol-2-one Traditional Name: 3-[4-(butylthio)phenyl]imino-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxindole Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3OS/c1-2-3-18-33-24-14-12-23(13-15-24)29-27-25-10-6-7-11-26(25)31(28(27)32)20-30-17-16-21-8-4-5-9-22(21)19-30/h4-15H,2-3,16-20H2,1H3