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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)-1,3-thiazol-2-amine Openeye Name: N-benzyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-amine CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)-2-thiazolamine IUPAC Name: N-benzyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine Traditional Name: benzyl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]amine Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)NCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)NCC4=CC=CC=C4)OC1

InChI

InChI=1S/C19H18N2O2S/c1-2-5-14(6-3-1)12-20-19-21-16(13-24-19)15-7-8-17-18(11-15)23-10-4-9-22-17/h1-3,5-8,11,13H,4,9-10,12H2,(H,20,21)