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

Systemtic Name: 3-[2-[2,7-bis(oxidanylidene)azepan-1-yl]ethoxy]benzenecarbothioamide Openeye Name: 3-[2-(2,7-dioxoazepan-1-yl)ethoxy]benzenecarbothioamide CAS Name: 3-[2-(2,7-dioxo-1-azepanyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-[2-(2,7-dioxoazepan-1-yl)ethoxy]benzenecarbothioamide Traditional Name: 3-[2-(2,7-diketoazepan-1-yl)ethoxy]thiobenzamide Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c16-15(21)11-4-3-5-12(10-11)20-9-8-17-13(18)6-1-2-7-14(17)19/h3-5,10H,1-2,6-9H2,(H2,16,21)