N-(azepan-1-ylcarbothioyl)-2-phenethyloxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-phenethyloxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-2-phenethyloxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-phenethyloxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-2-phenethyloxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-2-phenethyloxy-benzamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c25-21(23-22(27)24-15-8-1-2-9-16-24)19-12-6-7-13-20(19)26-17-14-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2,(H,23,25,27)