3-[3-methylbutyl(phenyl)amino]propanethioamide

Systemtic Name: 3-[3-methylbutyl(phenyl)amino]propanethioamide Openeye Name: 3-(N-isopentylanilino)propanethioamide CAS Name: 3-[N-(3-methylbutyl)anilino]propanethioamide IUPAC Name: 3-[N-(3-methylbutyl)anilino]propanethioamide Traditional Name: 3-(N-isoamylanilino)thiopropionamide Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(=S)N)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCN(CCC(=S)N)C1=CC=CC=C1

InChI

InChI=1S/C14H22N2S/c1-12(2)8-10-16(11-9-14(15)17)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,15,17)