N-cyclohexyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-cyclohexyl-3-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-cyclohexyl-3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-3-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-3-[(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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