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

Systemtic Name: 5-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(3-sec-butoxybenzoyl)carbamothioylamino]benzamide CAS Name: 5-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(3-sec-butoxybenzoyl)thiocarbamoylamino]benzamide Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

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