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

Systemtic Name: N-(3-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine Openeye Name: N-(3-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine CAS Name: N-(3-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine IUPAC Name: N-(3-chlorophenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-amine Traditional Name: (3-chlorophenyl)-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6H-1,3,4-thiadiazin-2-yl]amine Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NN=C(SC3)NC4=CC(=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NN=C(SC3)NC4=CC(=CC=C4)Cl)OC1

InChI

InChI=1S/C18H16ClN3O2S/c19-13-3-1-4-14(10-13)20-18-22-21-15(11-25-18)12-5-6-16-17(9-12)24-8-2-7-23-16/h1,3-6,9-10H,2,7-8,11H2,(H,20,22)