N-(2-carbamothioylphenyl)-3-[methyl(pentan-2-yl)amino]propanamide

Systemtic Name: N-(2-carbamothioylphenyl)-3-[methyl(pentan-2-yl)amino]propanamide Openeye Name: N-(2-carbamothioylphenyl)-3-[methyl(1-methylbutyl)amino]propanamide CAS Name: N-(2-carbamothioylphenyl)-3-[methyl(pentan-2-yl)amino]propanamide IUPAC Name: N-(2-carbamothioylphenyl)-3-[methyl(pentan-2-yl)amino]propanamide Traditional Name: 3-[methyl(1-methylbutyl)amino]-N-(2-thiocarbamoylphenyl)propionamide Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)CCC(=O)NC1=CC=CC=C1C(=S)N

Isomeric SMILES

CCCC(C)N(C)CCC(=O)NC1=CC=CC=C1C(=S)N

InChI

InChI=1S/C16H25N3OS/c1-4-7-12(2)19(3)11-10-15(20)18-14-9-6-5-8-13(14)16(17)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,17,21)(H,18,20)