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

Systemtic Name: 2-methyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-2-methyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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