N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C25H32N4O4S/c1-4-5-6-15-33-21-13-9-18(10-14-21)23(31)27-25(34)29-28-24(32)19-7-11-20(12-8-19)26-22(30)16-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H,26,30)(H,28,32)(H2,27,29,31,34)