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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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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(=CC=C2)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-15(2)12-21(27)24-18-8-10-19(11-9-18)25-23(30)26-22(28)17-6-5-7-20(13-17)29-14-16(3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,24,27)(H2,25,26,28,30)