4-(3-methylbutoxy)-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-15(2)12-13-27-18-10-8-17(9-11-18)20(26)22-21(28)24-23-19(25)14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,25)(H2,22,24,26,28)