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

Systemtic Name: 2-(3-methylbutoxy)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C

InChI

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