2-(3-methylbutoxy)-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 2-isoamoxy-N-[(m-toluoylamino)thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C21H25N3O3S/c1-14(2)11-12-27-18-10-5-4-9-17(18)20(26)22-21(28)24-23-19(25)16-8-6-7-15(3)13-16/h4-10,13-14H,11-12H2,1-3H3,(H,23,25)(H2,22,24,26,28)