N-(azepan-1-ylcarbothioyl)-3-phenethyloxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-phenethyloxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-phenethyloxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-phenethyloxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-phenethyloxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-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=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

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