N-[2,2-dimethyl-1-(pyridin-3-ylcarbamothioylamino)propyl]-4-methyl-benzamide

Systemtic Name: N-[2,2-dimethyl-1-(pyridin-3-ylcarbamothioylamino)propyl]-4-methyl-benzamide Openeye Name: N-[2,2-dimethyl-1-(3-pyridylcarbamothioylamino)propyl]-4-methyl-benzamide CAS Name: N-[2,2-dimethyl-1-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]propyl]-4-methylbenzamide IUPAC Name: N-[2,2-dimethyl-1-(pyridin-3-ylcarbamothioylamino)propyl]-4-methylbenzamide Traditional Name: N-[2,2-dimethyl-1-(3-pyridylthiocarbamoylamino)propyl]-4-methyl-benzamide Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)(C)C)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)(C)C)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C19H24N4OS/c1-13-7-9-14(10-8-13)16(24)22-17(19(2,3)4)23-18(25)21-15-6-5-11-20-12-15/h5-12,17H,1-4H3,(H,22,24)(H2,21,23,25)