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

Systemtic Name: 4-[2-[2,7-bis(oxidanylidene)azepan-1-yl]ethoxy]benzenecarbothioamide Openeye Name: 4-[2-(2,7-dioxoazepan-1-yl)ethoxy]benzenecarbothioamide CAS Name: 4-[2-(2,7-dioxo-1-azepanyl)ethoxy]benzenecarbothioamide IUPAC Name: 4-[2-(2,7-dioxoazepan-1-yl)ethoxy]benzenecarbothioamide Traditional Name: 4-[2-(2,7-diketoazepan-1-yl)ethoxy]thiobenzamide Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CCOC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CCOC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C15H18N2O3S/c16-15(21)11-5-7-12(8-6-11)20-10-9-17-13(18)3-1-2-4-14(17)19/h5-8H,1-4,9-10H2,(H2,16,21)