N-(2-cyanoethyl)-N-(phenylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-cyanoethyl)-N-(phenylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-(2-cyanoethyl)-N-(phenylmethyl)-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-4-[(2-quinolylthio)methyl]benzamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H23N3OS/c28-17-6-18-30(19-21-7-2-1-3-8-21)27(31)24-13-11-22(12-14-24)20-32-26-16-15-23-9-4-5-10-25(23)29-26/h1-5,7-16H,6,18-20H2