3-[(phenylmethyl)-propan-2-yl-amino]propanethioamide

Systemtic Name: 3-[(phenylmethyl)-propan-2-yl-amino]propanethioamide Openeye Name: 3-[benzyl(isopropyl)amino]propanethioamide CAS Name: 3-[(phenylmethyl)-propan-2-ylamino]propanethioamide IUPAC Name: 3-[benzyl(propan-2-yl)amino]propanethioamide Traditional Name: 3-[benzyl(isopropyl)amino]thiopropionamide Formula: C13H20N2S MolecularWeight: 236.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=S)N)CC1=CC=CC=C1

Isomeric SMILES

CC(C)N(CCC(=S)N)CC1=CC=CC=C1

InChI

InChI=1S/C13H20N2S/c1-11(2)15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,14,16)