N-(azepan-1-ylcarbothioyl)-4-heptoxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-heptoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-heptoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-heptoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-heptoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-heptoxy-benzamide Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C21H32N2O2S/c1-2-3-4-7-10-17-25-19-13-11-18(12-14-19)20(24)22-21(26)23-15-8-5-6-9-16-23/h11-14H,2-10,15-17H2,1H3,(H,22,24,26)