N-(azepan-1-ylcarbothioyl)-4-butan-2-yloxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-butan-2-yloxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-sec-butoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-butan-2-yloxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-butan-2-yloxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-sec-butoxy-benzamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C18H26N2O2S/c1-3-14(2)22-16-10-8-15(9-11-16)17(21)19-18(23)20-12-6-4-5-7-13-20/h8-11,14H,3-7,12-13H2,1-2H3,(H,19,21,23)