N-(3-methylbutyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanamide Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]-N-isopentyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(3-methylbutyl)acetamide Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]-N-isoamyl-acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

InChI

InChI=1S/C21H28N4OS/c1-17(2)10-12-23-20(26)14-24-21(27)25(15-18-7-4-3-5-8-18)16-19-9-6-11-22-13-19/h3-9,11,13,17H,10,12,14-16H2,1-2H3,(H,23,26)(H,24,27)