(E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-21(2,3)16-10-8-15(9-11-16)19(27)23-24-20(30)22-18(26)12-7-14-5-4-6-17(13-14)25(28)29/h4-13H,1-3H3,(H,23,27)(H2,22,24,26,30)/b12-7+