2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-[(1R)-1-(3-pyridyl)ethyl]benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-[(1R)-1-(3-pyridinyl)ethyl]benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-[(1R)-1-(3-pyridyl)ethyl]benzamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@H](C1=CN=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H20N4O2S/c1-16(18-7-5-11-25-14-18)26-23(29)20-9-2-3-10-21(20)30-15-22(28)27-19-8-4-6-17(12-19)13-24/h2-12,14,16H,15H2,1H3,(H,26,29)(H,27,28)/t16-/m1/s1