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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

InChI

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