3-[C-(azepan-1-yl)-N-phenyl-carbonimidoyl]sulfanylpropanoic acid

Systemtic Name: 3-[C-(azepan-1-yl)-N-phenyl-carbonimidoyl]sulfanylpropanoic acid Openeye Name: 3-[C-(azepan-1-yl)-N-phenyl-carbonimidoyl]sulfanylpropanoic acid CAS Name: 3-[[1-azepanyl(phenylimino)methyl]thio]propanoic acid IUPAC Name: 3-[C-(azepan-1-yl)-N-phenylcarbonimidoyl]sulfanylpropanoic acid Traditional Name: 3-[[C-(azepan-1-yl)-N-phenyl-carbonimidoyl]thio]propionic acid Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCCC(=O)O

InChI

InChI=1S/C16H22N2O2S/c19-15(20)10-13-21-16(17-14-8-4-3-5-9-14)18-11-6-1-2-7-12-18/h3-5,8-9H,1-2,6-7,10-13H2,(H,19,20)