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

Systemtic Name: N-tert-butyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: N-tert-butyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine CAS Name: N-tert-butyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: N-tert-butyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: tert-butyl-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-yl]amine Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(CS1)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)NC1=NN=C(CS1)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H21N3O2S/c1-16(2,3)17-15-19-18-12(10-22-15)11-5-6-13-14(9-11)21-8-4-7-20-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19)