N-cyclohexyl-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-cyclohexyl-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-cyclohexyl-3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-3-[(3-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-3-[(3-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c26-19(22-16-8-2-1-3-9-16)14-6-4-10-17(12-14)23-21(30)24-20(27)15-7-5-11-18(13-15)25(28)29/h4-7,10-13,16H,1-3,8-9H2,(H,22,26)(H2,23,24,27,30)