2-(6-acetamidopyridin-3-yl)sulfanyl-N-phenethyl-benzamide

Systemtic Name: 2-(6-acetamidopyridin-3-yl)sulfanyl-N-phenethyl-benzamide Openeye Name: 2-[(6-acetamido-3-pyridyl)sulfanyl]-N-phenethyl-benzamide CAS Name: 2-[(6-acetamido-3-pyridinyl)thio]-N-phenethylbenzamide IUPAC Name: 2-(6-acetamidopyridin-3-yl)sulfanyl-N-phenethylbenzamide Traditional Name: 2-[(6-acetamido-3-pyridyl)thio]-N-phenethyl-benzamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)SC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-16(26)25-21-12-11-18(15-24-21)28-20-10-6-5-9-19(20)22(27)23-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,23,27)(H,24,25,26)