4-[2,7-bis(oxidanylidene)azepan-1-yl]benzenecarbothioamide

Systemtic Name: 4-[2,7-bis(oxidanylidene)azepan-1-yl]benzenecarbothioamide Openeye Name: 4-(2,7-dioxoazepan-1-yl)benzenecarbothioamide CAS Name: 4-(2,7-dioxo-1-azepanyl)benzenecarbothioamide IUPAC Name: 4-(2,7-dioxoazepan-1-yl)benzenecarbothioamide Traditional Name: 4-(2,7-diketoazepan-1-yl)thiobenzamide Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H14N2O2S/c14-13(18)9-5-7-10(8-6-9)15-11(16)3-1-2-4-12(15)17/h5-8H,1-4H2,(H2,14,18)