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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-14(2)13-20(26)23-18-9-11-19(12-10-18)24-22(28)25-21(27)17-7-5-16(6-8-17)15(3)4/h5-12,14-15H,13H2,1-4H3,(H,23,26)(H2,24,25,27,28)