N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H25N3O2S/c1-5-19(25)22-17-7-6-8-18(14(17)4)23-21(27)24-20(26)16-11-9-15(10-12-16)13(2)3/h6-13H,5H2,1-4H3,(H,22,25)(H2,23,24,26,27)