N-cyclohexyl-N-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-N-methyl-2-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O4S/c1-27(18-7-3-2-4-8-18)23(30)20-9-5-6-10-21(20)25-24(33)26-22(29)16-13-17-11-14-19(15-12-17)28(31)32/h5-6,9-16,18H,2-4,7-8H2,1H3,(H2,25,26,29,33)/b16-13+