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

Systemtic Name: 4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzenecarbothioamide Openeye Name: 4-[(2,7-dioxoazepan-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(2,7-dioxo-1-azepanyl)methyl]benzenecarbothioamide IUPAC Name: 4-[(2,7-dioxoazepan-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(2,7-diketoazepan-1-yl)methyl]thiobenzamide Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C14H16N2O2S/c15-14(19)11-7-5-10(6-8-11)9-16-12(17)3-1-2-4-13(16)18/h5-8H,1-4,9H2,(H2,15,19)