5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-amine

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3,4-dimethoxyphenyl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3,4-dimethoxyphenyl)-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]-(3,4-dimethoxyphenyl)amine Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NN=C(CS2)C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NN=C(CS2)C3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C20H21N3O4S/c1-24-16-7-5-14(11-18(16)25-2)21-20-23-22-15(12-28-20)13-4-6-17-19(10-13)27-9-3-8-26-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)