N-[3-(ethanoylcarbamothioylamino)-2-methyl-phenyl]propanamide

Systemtic Name: N-[3-(ethanoylcarbamothioylamino)-2-methyl-phenyl]propanamide Openeye Name: N-[3-(acetylcarbamothioylamino)-2-methyl-phenyl]propanamide CAS Name: N-[3-[[acetamido(sulfanylidene)methyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide Traditional Name: N-[3-(acetylthiocarbamoylamino)-2-methyl-phenyl]propionamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C)C

InChI

InChI=1S/C13H17N3O2S/c1-4-12(18)15-10-6-5-7-11(8(10)2)16-13(19)14-9(3)17/h5-7H,4H2,1-3H3,(H,15,18)(H2,14,16,17,19)