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

Systemtic Name: 5-[(2-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(2-butoxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[(2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(2-butoxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(2-butoxybenzoyl)thiocarbamoylamino]-2-chloro-N-cyclohexyl-benzamide Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H30ClN3O3S/c1-2-3-15-32-22-12-8-7-11-19(22)23(30)29-25(33)28-18-13-14-21(26)20(16-18)24(31)27-17-9-5-4-6-10-17/h7-8,11-14,16-17H,2-6,9-10,15H2,1H3,(H,27,31)(H2,28,29,30,33)