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

Systemtic Name: N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-13(2)10-11-29-17-8-6-14(7-9-17)19(26)22-23-20(30)21-18(25)15-4-3-5-16(12-15)24(27)28/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H2,21,23,25,30)