3-[2,7-bis(oxidanylidene)azepan-1-yl]benzenecarbothioamide

Systemtic Name: 3-[2,7-bis(oxidanylidene)azepan-1-yl]benzenecarbothioamide Openeye Name: 3-(2,7-dioxoazepan-1-yl)benzenecarbothioamide CAS Name: 3-(2,7-dioxo-1-azepanyl)benzenecarbothioamide IUPAC Name: 3-(2,7-dioxoazepan-1-yl)benzenecarbothioamide Traditional Name: 3-(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=CC(=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c14-13(18)9-4-3-5-10(8-9)15-11(16)6-1-2-7-12(15)17/h3-5,8H,1-2,6-7H2,(H2,14,18)