2-chloranyl-N-cyclohexyl-5-[(2-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[(2-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(2-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(2-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(2-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4S/c22-17-11-10-14(12-16(17)20(28)23-13-6-2-1-3-7-13)24-21(31)25-19(27)15-8-4-5-9-18(15)26(29)30/h4-5,8-13H,1-3,6-7H2,(H,23,28)(H2,24,25,27,31)