5-[(3-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide

Systemtic Name: 5-[(3-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(3-butoxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(3-butoxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(3-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(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

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