azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Systemtic Name: azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Openeye Name: azepan-1-yl-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone CAS Name: 1-azepanyl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone IUPAC Name: azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Traditional Name: azepan-1-yl-(3-phenyl-2-thioxo-4-imidazolin-4-yl)methanone Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C16H19N3OS/c20-15(18-10-6-1-2-7-11-18)14-12-17-16(21)19(14)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,17,21)