(5Z)-2-(azepan-1-yl)-5-[(2-bromophenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-(azepan-1-yl)-5-[(2-bromophenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(azepan-1-yl)-5-[(2-bromophenyl)methylene]thiazol-4-one CAS Name: (5Z)-2-(1-azepanyl)-5-[(2-bromophenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(azepan-1-yl)-5-[(2-bromophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(azepan-1-yl)-5-(2-bromobenzylidene)-2-thiazolin-4-one Formula: C16H17BrN2OS MolecularWeight: 365.28798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3Br)S2

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)/C(=C/C3=CC=CC=C3Br)/S2

InChI

InChI=1S/C16H17BrN2OS/c17-13-8-4-3-7-12(13)11-14-15(20)18-16(21-14)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10H2/b14-11-