4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(2-anilino-2-oxo-ethyl)sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 4-[(2-anilino-2-oxoethyl)thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(2-anilino-2-oxoethyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[(2-anilino-2-keto-ethyl)thio]-N-(3-pyridylmethyl)butyramide Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCCCC(=O)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCCCC(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H21N3O2S/c22-17(20-13-15-6-4-10-19-12-15)9-5-11-24-14-18(23)21-16-7-2-1-3-8-16/h1-4,6-8,10,12H,5,9,11,13-14H2,(H,20,22)(H,21,23)