3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorobenzoyl)azepan-2-one CAS Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-[(4-chlorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorobenzoyl)azepan-2-one Traditional Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(4-chlorobenzoyl)azepan-2-one Formula: C15H15ClN4O2S2 MolecularWeight: 382.8882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN=C(S2)N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN=C(S2)N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O2S2/c16-10-6-4-9(5-7-10)12(21)20-8-2-1-3-11(13(20)22)23-15-19-18-14(17)24-15/h4-7,11H,1-3,8H2,(H2,17,18)