(NE)-N-[2-methoxy-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionin-1-ylidene]hydroxylamine

Systemtic Name: (NE)-N-[2-methoxy-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionin-1-ylidene]hydroxylamine Openeye Name: 2-methoxy-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionin-1-one oxime CAS Name: 2-methoxy-2-(4-phenylbutylthio)-4,5,6,7-tetrahydro-3-benzothionin-1-one oxime IUPAC Name: (NE)-N-[2-methoxy-2-(4-phenylbutylsulfanyl)-4,5,6,7-tetrahydro-3-benzothionin-1-ylidene]hydroxylamine Traditional Name: 2-methoxy-2-(4-phenylbutylthio)-4,5,6,7-tetrahydro-3-benzothionin-1-one oxime Formula: C23H29NO2S2 MolecularWeight: 415.61186

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=NO)C2=CC=CC=C2CCCCS1)SCCCCC3=CC=CC=C3

Isomeric SMILES

COC1(/C(=N/O)/C2=CC=CC=C2CCCCS1)SCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO2S2/c1-26-23(27-17-9-7-13-19-11-3-2-4-12-19)22(24-25)21-16-6-5-14-20(21)15-8-10-18-28-23/h2-6,11-12,14,16,25H,7-10,13,15,17-18H2,1H3/b24-22+