N-(2-acetamidoethylcarbamothioyl)-4-methyl-benzamide

Systemtic Name: N-(2-acetamidoethylcarbamothioyl)-4-methyl-benzamide Openeye Name: N-(2-acetamidoethylcarbamothioyl)-4-methyl-benzamide CAS Name: N-[(2-acetamidoethylamino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-(2-acetamidoethylcarbamothioyl)-4-methylbenzamide Traditional Name: N-(2-acetamidoethylthiocarbamoyl)-4-methyl-benzamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NCCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NCCNC(=O)C

InChI

InChI=1S/C13H17N3O2S/c1-9-3-5-11(6-4-9)12(18)16-13(19)15-8-7-14-10(2)17/h3-6H,7-8H2,1-2H3,(H,14,17)(H2,15,16,18,19)