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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C23H29N3O3S/c1-5-16(4)29-20-8-6-7-17(14-20)22(28)26-23(30)25-19-11-9-18(10-12-19)24-21(27)13-15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,24,27)(H2,25,26,28,30)