(2R)-1-(azepan-1-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(azepan-1-yl)propan-1-one CAS Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(1-azepanyl)-1-propanone IUPAC Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(azepan-1-yl)propan-1-one Traditional Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(azepan-1-yl)propan-1-one Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS2/c1-13(15(22)21-11-7-2-3-8-12-21)23-17-20-19-16(24-17)18-14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,19)/t13-/m1/s1