(NE)-N-[2-methoxy-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocin-1-ylidene]hydroxylamine

Systemtic Name: (NE)-N-[2-methoxy-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocin-1-ylidene]hydroxylamine Openeye Name: 2-methoxy-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocin-1-one oxime CAS Name: 2-methoxy-2-(3-phenylpropylthio)-5,6-dihydro-4H-3-benzothiocin-1-one oxime IUPAC Name: (NE)-N-[2-methoxy-2-(3-phenylpropylsulfanyl)-5,6-dihydro-4H-3-benzothiocin-1-ylidene]hydroxylamine Traditional Name: 2-methoxy-2-(3-phenylpropylthio)-5,6-dihydro-4H-3-benzothiocin-1-one oxime Formula: C21H25NO2S2 MolecularWeight: 387.5587

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=NO)C2=CC=CC=C2CCCS1)SCCCC3=CC=CC=C3

Isomeric SMILES

COC1(/C(=N/O)/C2=CC=CC=C2CCCS1)SCCCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S2/c1-24-21(25-15-7-11-17-9-3-2-4-10-17)20(22-23)19-14-6-5-12-18(19)13-8-16-26-21/h2-6,9-10,12,14,23H,7-8,11,13,15-16H2,1H3/b22-20+