3-[(2-oxidanylideneazepan-3-yl)-phenyl-amino]propanethioamide

Systemtic Name: 3-[(2-oxidanylideneazepan-3-yl)-phenyl-amino]propanethioamide Openeye Name: 3-(N-(2-oxoazepan-3-yl)anilino)propanethioamide CAS Name: 3-(N-(2-oxo-3-azepanyl)anilino)propanethioamide IUPAC Name: 3-(N-(2-oxoazepan-3-yl)anilino)propanethioamide Traditional Name: 3-(N-(2-ketoazepan-3-yl)anilino)thiopropionamide Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCC(=S)N)C2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C15H21N3OS/c16-14(20)9-11-18(12-6-2-1-3-7-12)13-8-4-5-10-17-15(13)19/h1-3,6-7,13H,4-5,8-11H2,(H2,16,20)(H,17,19)