N-(azepan-1-ylcarbothioyl)-3-phenyl-propanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-phenyl-propanamide Openeye Name: N-(azepane-1-carbothioyl)-3-phenyl-propanamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-phenylpropanamide IUPAC Name: N-(azepane-1-carbothioyl)-3-phenylpropanamide Traditional Name: N-(azepane-1-carbothioyl)-3-phenyl-propionamide Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2OS/c19-15(11-10-14-8-4-3-5-9-14)17-16(20)18-12-6-1-2-7-13-18/h3-5,8-9H,1-2,6-7,10-13H2,(H,17,19,20)