4-tert-butyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C28H27N5O5S MolecularWeight: 545.60948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O5S/c1-28(2,3)21-12-8-19(9-13-21)25(35)29-22-14-10-20(11-15-22)26(36)31-32-27(39)30-24(34)16-7-18-5-4-6-23(17-18)33(37)38/h4-17H,1-3H3,(H,29,35)(H,31,36)(H2,30,32,34,39)/b16-7+