N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(2-cyanoethyl)-4-(2-quinolylsulfanylmethyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-cyanoethyl)-N-(2-oxolanylmethyl)-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(2-cyanoethyl)-4-[(2-quinolylthio)methyl]-N-(tetrahydrofurfuryl)benzamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CCC#N)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(OC1)CN(CCC#N)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3O2S/c26-14-4-15-28(17-22-6-3-16-30-22)25(29)21-10-8-19(9-11-21)18-31-24-13-12-20-5-1-2-7-23(20)27-24/h1-2,5,7-13,22H,3-4,6,15-18H2