2-(azepan-1-yl)-5-(phenylmethylidene)-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-(phenylmethylidene)-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-benzylidene-thiazol-4-one CAS Name: 2-(1-azepanyl)-5-(phenylmethylene)-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-benzylidene-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-benzal-2-thiazolin-4-one Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3)S2

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3)S2

InChI

InChI=1S/C16H18N2OS/c19-15-14(12-13-8-4-3-5-9-13)20-16(17-15)18-10-6-1-2-7-11-18/h3-5,8-9,12H,1-2,6-7,10-11H2