2-chloranyl-N-cyclohexyl-5-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C27H34ClN3O3S MolecularWeight: 516.09516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C27H34ClN3O3S/c1-2-3-4-8-17-34-22-14-11-19(12-15-22)25(32)31-27(35)30-21-13-16-24(28)23(18-21)26(33)29-20-9-6-5-7-10-20/h11-16,18,20H,2-10,17H2,1H3,(H,29,33)(H2,30,31,32,35)