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

Systemtic Name: 3-(3-methylbutoxy)-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: 3-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=C2)OCCC(C)C

Isomeric SMILES

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

InChI

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