5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-methoxyphenyl)methyl]-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-methoxyphenyl)methyl]-6H-1,3,4-thiadiazin-2-amine Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-methoxyphenyl)methyl]-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-methoxyphenyl)methyl]-6H-1,3,4-thiadiazin-2-amine IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-methoxyphenyl)methyl]-6H-1,3,4-thiadiazin-2-amine Traditional Name: [5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-yl]-p-anisyl-amine Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(CS2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(CS2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O3S/c1-24-16-6-3-14(4-7-16)12-21-20-23-22-17(13-27-20)15-5-8-18-19(11-15)26-10-2-9-25-18/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,23)