3-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: N-hydroxy-3-[4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzeneamine oxide CAS Name: N-hydroxy-3-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzeneamine oxide IUPAC Name: N-hydroxy-3-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzeneamine oxide Traditional Name: N-hydroxy-3-[4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]benzeneamine oxide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[NH+](O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[NH+](O)[O-]

InChI

InChI=1S/C22H20N2O2S/c1-15-9-11-16(12-10-15)20-14-22(17-5-4-6-18(13-17)24(25)26)27-21-8-3-2-7-19(21)23-20/h2-13,22,24-25H,14H2,1H3