1-(azepan-1-yl)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(4-phenylthiazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[(4-phenyl-2-thiazolyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(4-phenylthiazol-2-yl)thio]propan-1-one Formula: C18H22N2OS2 MolecularWeight: 346.51008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2OS2/c21-17(20-11-6-1-2-7-12-20)10-13-22-18-19-16(14-23-18)15-8-4-3-5-9-15/h3-5,8-9,14H,1-2,6-7,10-13H2