2-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-methyl-N-[4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[4-(isovalerylthiocarbamoylamino)phenyl]-2-methyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C20H23N3O2S/c1-13(2)12-18(24)23-20(26)22-16-10-8-15(9-11-16)21-19(25)17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26)