3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one

Systemtic Name: 3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one Openeye Name: 3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one CAS Name: 3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)-2-azepanone IUPAC Name: 3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one Traditional Name: 3-(methylamino)-7-phenyl-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCC(N(C1=O)CC2=NN=CS2)C3=CC=CC=C3

Isomeric SMILES

CNC1CCCC(N(C1=O)CC2=NN=CS2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)10-15-19-18-11-22-15/h2-4,6-7,11,13-14,17H,5,8-10H2,1H3