2-chloranyl-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H23ClN4O4S/c24-20-11-10-17(14-19(20)22(30)25-16-6-2-1-3-7-16)26-23(33)27-21(29)12-9-15-5-4-8-18(13-15)28(31)32/h4-5,8-14,16H,1-3,6-7H2,(H,25,30)(H2,26,27,29,33)/b12-9+