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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: N-benzyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: N-benzyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: benzyl-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-yl]amine Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NN=C(SC3)NCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NN=C(SC3)NCC4=CC=CC=C4)OC1

InChI

InChI=1S/C19H19N3O2S/c1-2-5-14(6-3-1)12-20-19-22-21-16(13-25-19)15-7-8-17-18(11-15)24-10-4-9-23-17/h1-3,5-8,11H,4,9-10,12-13H2,(H,20,22)